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

[Praveen Kumar Madala]

Hi,

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.

regards,
Praveen