[gmx-users] seek for forcefield parameters

Jinyao Wang wangjy at ciac.jl.cn
Sun Nov 2 14:57:46 CET 2008

 I would like to study hydrogen bond in acetaldehyde system with Opls-AA force-field. But I found that the charge of hydrogen connecting to carbonyl group in acetaldehyde is 0 in the Opls-AA force-field.So it is not fit for me. 
It will be appreciated if anybody can supply forcefield parameters of the acetaldehyde or some suggestion for me.


        Jinyao Wang
        wangjy at ciac.jl.cn

More information about the gromacs.org_gmx-users mailing list