[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
Stefano

-- 
Stefano GUGLIELMO PhD
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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