[gmx-users] opls-aa/L force field parameter modify

zjim fit_tone at 163.com
Sun Jan 16 06:50:28 CET 2005

hi gmx developers
I want to append some parameter to the opls-aa FF parameter file in order to expand it to carbohydrate.
As for the [bondtypes] and [angletypes], it is ok.
yet for [dihedraltypes], the parameter showed in the file "ffoplsaabon.itp" is 
< i    j    k    l   func     coefficients >, but the origin data for me is V1 V2 V3, so how can i do for this.

thanks  a lot

Shanghai Institute of Organic Chemistry
Computational Chemistry Lab
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