[gmx-users] Improper dihedrals in Charmm FF

Jianguo Li ljggmx at yahoo.com.sg
Thu Apr 21 10:54:09 CEST 2011

Dear all,

My molecule contains -CH=CH- fragment and I am trying to create the topology 
using Charmm FF. It seems that there is no improper dihedrals for -CH=CH- 
fragment in Charmm FF, while other FF (e.g., Amber or OPLS) has additional 
improper dihedrals terms for that fragment. 

Could anybody confirm this?
Thanks very much!

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