[gmx-users] Re: Replacement for G43b1 force field?
anirbanz83 at yahoo.co.in
Tue May 5 07:01:58 CEST 2009
Thanks a lot Justin for the reply.
I have already seen that post. But the problem is that there is no clear answer in it. Hess says that there NO G43b1 force-field now in GROMACS and G43b1 was just a modified version of G43a1 but with no residue charges. So this means that there in no vacuum force-field in GROMACS now or can I use any of other 8 force-fields for this purpose? Please rectify if I am wrong and please tell me force-field number which has the same properties as G43b1. What are following two force-fiels used for:
6. [DEPRECATED] Gromacs force field (see manual)
8. Encad all-atom force field, using scaled-down vacuum charges
There is no description in the GROMACS4 manual or the pdb2gmx man page. Please update the information.
Grade Based Engineer
Centre for Development of Advanced Computing (C-DAC)
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