[gmx-users] How to simulate spc216.pdb in different water potentials

Ravi Kumar Venkatraman ravi.ipc.iisc at gmail.com
Mon May 30 06:25:09 CEST 2011

Dear Sir/ Madam,
                          I would like to run simulation for water in
different water potentials like spc spc/e tip3p tip4p ... But when I do
pdb2gmx and genbox to solvate the box (l= 1.862) I am not able generate box
of 216 molecules. Please find me a solution.

Thank you in advance

*With Regards,**
*Ravi Kumar Venkatraman,*
*c/o Prof. Siva Umapathy,**
*IPC Dept., IISc.,*
*Bangalore, INDIA.*
*Phone No: +91-9686933963*
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