[gmx-users] Energy minimization of an UNKNOWN molecule.

[Victor Rosas Garcia]

just put the itp file in your working directory, and include it in the
top file of your system, so that Gromacs can find it.

Hope this helps.

Victor

2014-11-02 8:54 GMT-06:00 Kalyanashis Jana <kalyan.chem.in at gmail.com>:
> Dear all,
> I am trying to run a gromacs simulation using an .itp file of an unknown
> molecule ( non protein and DNA). I don't want to put the .itp file in a
> forcefield folder and I would like put it in my working directory. Can you
> please tell me, what is procedure to finish the energy minimization? Please
> help me..
> Thanks in advance,
> Kalyanashis
>
> --
> Kalyanashis Jana
> email: kalyan.chem.in at gmail.com
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