[gmx-users] Re: DMSO G53a6 FF in Gromacs

[Andreas Boozo Frank]

Hi Berk,

Thanks for replying so quick. I made it rigid in that way that I used 
bonded interactions also for the groups that are not directly connected 
(FF parameters gb_49 & gb_50) and then applied all-bond SHAKE. For the 
other bonds I used gb_41, gb42 and for the three angles ga_45 and ga_46.

Andreas
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