[gmx-users] Improper dihedrals in Charmm FF

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

Re: [gmx-users] Improper dihedrals in Charmm FF

On 4/21/2011 6:54 PM, Jianguo Li wrote: 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