x.periole at rug.nl
Tue Mar 6 23:44:50 CET 2012
Did you define the mapping in the atomistic topology?
On Mar 6, 2012, at 10:57, dina dusti <dinadusti at yahoo.com> wrote:
> Dear Gromacs Specialists,
> I have one problem about g_fg2cg. I want convert structure of butanole in fg to cg by g_fg2cg, but I take this error:
> "Program g_fg2cg, VERSION 3.3.1
> Source code file: gmxfio.c, line: 735
> Range checking error:
> Variable fio has value -1. It should have been within [ 0 .. 1 ]
> Please report this to the mailing list (gmx-users at gromacs.org)"
> May I ask you to help me, Please?
> Thank you very much in advance
> Best Regards
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