[gmx-users] from amber to opls
Rebeca García Fandiño
regafan at hotmail.com
Thu May 22 23:19:02 CEST 2014
I have done a simulation of an organic molecule (a cyclodextrin) using GAFF/AMBER parameters, and I would like to compare the results using another force-field (OPLS or CHARMM). Is there any direct way to go from the topology for AMBER to the topology for OPLS or CHARMM?
Thanks a lot for your help in advance.
Dr. Rebeca Garcia
Santiago de Compostela University
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