On 23/03/2011 4:42 PM, Praveen Kumar Madala wrote:
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.
You can
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,
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