Making Initial configurations of polymers
- From: Satyavani Vemparala <vani.,at,.baton.phys.lsu.edu>
- Subject: Making Initial configurations of polymers
- Date: Fri, 03 May 2002 13:57:03 -0500
Is there any software (free or otherwise) out there which can build the
initial chain of PMMA, given bond lengths and bond angles?
Iam looking for a united atom model initial chain.
And also once one chain is made , what is the best way to proceed to make
the initial configuration of the system?( I usually make duplicates, put
them all in the box together and apply some repulsive potential to introduce
excluded volume but that takes quite a while)?