[gmx-users] spatial restraints

Stefano Guglielmo stefano.guglielmo at unito.it
Tue Jun 19 02:17:38 CEST 2018

Hello gromacs users,

I would like to know if it is possible to add spatial restraints to a
selected subgroup of atoms of my system (protein+membrane+ligand+water)
without generating a new topology: I have a top generated with parmed fed
with the suitable amber ff and I would like just to add the atoms that
should be restrained to the existing topology.
Thanks in advance

Assistant Professor of Medicinal Chemistry
Department of Drug Science and Technology
Via P. Giuria 9
10125 Turin, ITALY
ph. +39 (0)11 6707178

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