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

2011-03-23 Thread Mark Abraham
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

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

2011-03-22 Thread 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,