[gmx-users] (no subject)
anoddlad at yahoo.com
Mon Nov 21 13:26:49 CET 2005
Perhaps listing some excerpts from the problem files
would help us understand what's going on...
Otherwise, it looks like you've misnamed or missed out
water in a file somewhere. I vaguely remember when I
started using gromacs I got something similar, I think
I changed the forcefield file name system to include
SOL as well as whatever it is it currently uses.
Go into /share/top and use grep to find out whether
the forcefield you are using uses SOL as the name for
water. Make sure your .mdp, .top, and
.gro/.pdb/.whatever all use the same.
--- Dhananjay chandrashekhar joshi
<joshidc_in1 at rediffmail.com> wrote:
> Dear All
> I have recently started working on Gromacs.
> While trying grompp I got fatal error as follows
> Fatal error:
> Group SOL not found in indexfile.
> Maybe you have non-default goups in your mdp file,
> while not using the '-n' option of grompp.
> In that case use the '-n' option.
> Anybody can tell me what it mean and solution on
> this ?
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