[gmx-users] PRODRG server
ramezanpour.mohsen at gmail.com
Sat Jan 22 14:09:49 CET 2011
I read your articles about PRODRG server,they were very useful.
But I have a question:
are charges of functional groups and generally other atom groups the same in
all force fields?
Because you have modified charges of your molecules by Gromos96 53A6 while
prodrg server is generating topology files in 43A1.
I want to know can I replace charges from gromos 53A6 or other forcefields?
thanks in advance
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