Hi,
no need to make that yourself. Amber comes with a preequilibrated CHCl3
solvent box.
Do:
loadamberparams frcmod.chcl3
solvatebox <molecule> CHCL3BOX <size>
Thats all :-)
Thomas
On Tue, May 18, 2010 3:19 am, ashutosh shandilya wrote:
> Hi
> I want to do simulation of my drug molecule in chloroform solvent.how can
> I
> make the topology and coordinate file .I have done it in vacuum and
> water.So
> I would be grateful if someone can say the procedure.
> Thanks and regards
> Ashutosh Shandilya
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>
Dr. Thomas Steinbrecher
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Tue May 18 2010 - 01:00:03 PDT
