Hi all! I'm just a beginner user of Gromacs, that's why my question may
seem strange to you. But I hope, that somebody can help me in solving my
problem. The point is that I'm trying to perform the analysis of
tetrabutylammonium cation solvatation using OPLS force field. Earlier i've
modelled tetrametylammonium cation with same force field; the topology *.itp
file for TMA was created, using The Dundee PRODRG Server: itp-file was
created for some Gromacs force field, and than modified by definition of the
UA-groups according to OPLS UA-types. This way is unsuitable for
determination of TBA topology, 'couse in this case "all-atom" determination
should be performed. So that's why I'm asking your advise what should I do.
Thanks a lot!
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