[gmx-users] Making small molecule topology files

Arthur Roberts aroberts99163 at yahoo.com
Sat Sep 2 02:44:27 CEST 2006


Hi, all,

     I would like to make a small molecule using the
OPLSAA force field.  Is there a simple way to do it
(i.e. a program that makes the topology file) or do I
have to manually type the OPLSAA topology file?

Thank you in advance,
Art



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