[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 ???
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