Re: [gmx-users] Can I use different force field functions for a molecule

2006-12-07 Thread Mark Abraham
intelandamd wrote: > Dear > I want to know whether I can use different functions in a molecule > without making extra code.For example in a methanol molecule,I want to > use Harmonic potential for C-H bond and use Morse pontential for C-OH > bond. Besides,in user specified potential functions,I

[gmx-users] Can I use different force field functions for a molecule

2006-12-07 Thread intelandamd
Dear I want to know whether I can use different functions in a molecule without making extra code.For example in a methanol molecule,I want to use Harmonic potential for C-H bond and use Morse pontential for C-OH bond. Besides,in user specified potential functions,I want to know whether I can