From owner-chemistry@ccl.net Fri Apr 2 10:02:01 2010 From: "Amir Taghavi amir_taghavi14()yahoo.com" To: CCL Subject: CCL: Tinker .prm (force field parameters) file specs Message-Id: <-41575-100402070553-28522-NwXtTS/cWcuCtGjinEy0/g{=}server.ccl.net> X-Original-From: Amir Taghavi Content-Type: multipart/alternative; boundary="0-45117475-1270204749=:9911" Date: Fri, 2 Apr 2010 03:39:09 -0700 (PDT) MIME-Version: 1.0 Sent to CCL by: Amir Taghavi [amir_taghavi14[#]yahoo.com] --0-45117475-1270204749=:9911 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable Dear friend,I didn't understand well your question, but I guess you have a = problem on building the input files.You have to create the connections of a= toms with a secondary program like the Hyperchem , then you can build your = input files as .xyz Cartesian coordinates or Z matrix files.=A0 If you need more help or extended details please e-mail me.=A0Regards,Amir --- On Mon, 3/29/10, V=EDctor victor.gil.sepulveda-#-gmail.com wrote: > From: V=EDctor victor.gil.sepulveda-#-gmail.com Subject: CCL: Tinker .prm (force field parameters) file specs To: "Taghavi, Amir " Date: Monday, March 29, 2010, 4:52 PM Sent to CCL by: =3D?ISO-8859-1?B?Vu1jdG9y?=3D [victor.gil.sepulveda,+,gmail= .com] Dear all, We are trying to use the tinker .prm force field parameter files for our minimization software as a standard. The file format seems to be very straightforward , however we don't want to do wrong assumptions. After googling I haven't found the specs anywhere, anyone knows where can I find them? (with specs I mean, type of the atom from char1 to char 6, identifier > from char 8 to 10 and so on...) Thanks to all!! Victor --=20 V=EDctor Gil Sep=FAlveda E. Informatica - FIB - UPC -=3D This is automatically added to each message by the mailing script =3D-=A0 =A0 =A0=A0 =A0 =A0=A0 =A0 =A0=A0 =A0 =A0=0A=0A=0A --0-45117475-1270204749=:9911 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable

Dear friend,

I didn't understand wel= l your question, but I guess you have a problem on building the input files= .You have to create the connections of atoms with a secondary program like = the Hyperchem , then you can build your input files as .xyz Cartesian coord= inates or Z matrix files.=A0

If you need more help or extended de= tails please e-mail me.=A0

Regards,

Amir


--- On Mon, = 3/29/10, V=EDctor victor.gil.sepulveda-#-gmail.com <owner-chemistry(a)c= cl.net> wrote:

From: V=EDctor vi= ctor.gil.sepulveda-#-gmail.com <owner-chemistry(a)ccl.net>
Subject: = CCL: Tinker .prm (force field parameters) file specs
To: "Taghavi, Amir = " <amir_taghavi14(a)yahoo.com>
Date: Monday, March 29, 2010,= 4:52 PM


Sent to CCL by: =3D?ISO-8859-1?B?Vu= 1jdG9y?=3D [victor.gil.sepulveda,+,gmail.com]
Dear all,

We are tr= ying to use the tinker .prm force field parameter files for
our minimiza= tion software as a standard. The file format seems to be
very straightfo= rward , however we don't want to do wrong assumptions.

After googlin= g I haven't found the specs anywhere, anyone knows where
can I find them= ?

(with specs I mean, type of the atom from char1 to char 6, identif= ier
> from char 8 to 10 and so on...)

Thanks to all!!

V= ictor



--

V=EDctor Gil Sep=FAlveda
E. Informatica = - FIB - UPC



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