[gmx-users] to know about constraints

[Anik Sen]

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

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