From chemistry-request.,at,.server.ccl.net Wed Jul 17 07:08:08 2002 Received: from noralf.uib.no ([129.177.30.12]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g6HB87v19866 for ; Wed, 17 Jul 2002 07:08:07 -0400 Received: from nkjtk.kj.uib.no [129.177.52.113] by noralf.uib.no with esmtp (Exim 3.35) id 17Umet-0000G1-00; Wed, 17 Jul 2002 13:07:51 +0200 Message-Id: <5.0.2.1.2.20020717105209.009f8d60 - at - rasmus.uib.no> X-Sender: st06087-0at0-rasmus.uib.no X-Mailer: QUALCOMM Windows Eudora Version 5.0.2 Date: Wed, 17 Jul 2002 12:17:22 +0200 To: chemistry-0at0-ccl.net From: Shireen Al Falah Subject: ROMP4 using gaussian Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii"; format=flowed X-checked-clean: by exiscan on noralf X-Scanner: 7c842943f242f7cf2addd9072b6b45df http://tjinfo.uib.no/virus.html X-UiB-SpamFlag: NO UIB: -7 hits, 8 required; Hi to ccl users, I need to run a ROMP4 using gaussian98. I have tried to do it. But I was no lucky. Do you know a way to do it. The same input file with the keyword ROMP2 worked. Can you explain the reason for that, please The input is as follows: %mem=30000000 %nproc=4 %chk=et_bht_p_ROMP4 #P ROMP4/gen SP Vshift=300 gfinput IOP(6/7=3) scf=(tight,novaracc,maxcycle=300) pop=Full units=Ang Guess=Cards The error message is: QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE. #P ROMP4/GEN SP VSHIFT=300 GFINPUT IOP(6/ ' Last state="GCL" TCursr= 827 LCursr= 3 Error termination via Lnk1e in /usr/local/chemistry/g98/l1.exe. Best regards, Sherin Alfalah