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

Kalyanashis Jana kalyan.chem.in at gmail.com
Sun Nov 2 15:54:29 CET 2014

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 Jana
email: kalyan.chem.in at gmail.com

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