[gmx-users] to know about constraints

Anik Sen aniksen at csmcri.org
Tue Jun 19 19:28:56 CEST 2012

Dear gromacs developers,

                                    This is  Anik. For a certain work with nonbonded interactions with alkali halides and water, I need to constrain some specific atoms in the energy minimization step. Is there any option to constrain the atoms in a specific calculation. The water molecules and other atoms may be in movement during the calculation.

Thanx in advance

Anik Sen
CSIR-Central Salt & Marine Chemicals Research Institute,
Gijubhai Badheka Marg.
Bhavnagar, Gujarat 364002
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