Hi Ambers community,
In GAFF ff described in JPC paper of Wang et al. Vol. 25, No. 9 Journal of Computational Chemistry, what is the best carbon and hydrogen atom types to use to model CH2=CH2 group and for the CH2 in CH=CH-CH2-CH=CH, found in polyunsaturated lipids ? I used the c2 and h2 for CH=CH and c3 and h3 for CH2. but i am not sure is correct.
Can you help me, thank you very much for your help.
stefane
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Received on Wed Nov 21 2007 - 06:07:08 PST
