[gmx-users] how to differentiate crystal water and explicit waters in gromacs ???

Praveen Kumar Madala p.madala at uq.edu.au
Wed Mar 23 06:42:40 CET 2011


I am new to GROMACS and I am trying to perform a MD run in PBC  
condition with water as solvent.

I want to keep the crystal water molecules different from explicit  
waters,  I believe this helps me in analysis of crystal waters.

Can someone help me wit this ???

Thanking you.


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