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
Student
CSIR-Central Salt & Marine Chemicals Research Institute,
Gijubhai Badheka Marg.
Bhavnagar, Gujarat 364002
[www.csmcri.org]
========================================================
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