Hi, amber users:
I have prepared all the necessary file for running MD. My problem is conserve water of my target protein active site. When I load complex pdb on xleap, then after saving prmtop, inpcrd and solvated complex pdb active site conserve water lost. I cant identify them. Can anyone please help me in this regard.
Thank you
Best Regards, Saman Yousuf AliJunior Research Fellow,
| Lab No. P-133, Computational Chemistry Laboratory
Dr. Panjwani Center for Molecular Medicine & Drug Research,
International Center for Chemical & Biological Sciences,
University of Karachi – 75270.Karachi-Pakistan.
Contact No:
Office (92-21) 111222292 (Ext 309)
Email ID:
saman.yousufali64.yahoo.com
saman.ali.iccs.edu
|
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Received on Sat Jan 02 2016 - 05:30:02 PST
