Dear friends
I generated a biphasic solvent using PACKMOL and did my simulations.
After MD using Amber when i reimage the files i find there are three layers
hexane/water/ hexane...
my re-image commands are as follows
trajin md1.mdcrd
trajin md2.mdcrd
trajout reimage.mdcrd
center :1101-1191
image center familiar
rms first out wt1mg_eq_rms.out
i am unable to find where am i wrong??
Regards
ANU
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Received on Fri Sep 16 2011 - 06:30:03 PDT
