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From: ramya narasimhan (ramya_jln_at_yahoo.co.in)
Date: Tue Oct 23 2007 - 00:45:16 CDT

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Dear Namd Users,
                    Iam a new user of NAMD.I tried to do MD of peptide with water in NPT ensemble. I used Langevin dynamics to maintain the temperature at 300K. I used PBC.My peptide went to the corner of the box,then I made some changes according to the tutorial and this time peptide went out of the water box.Can anyone point out the error in my protocol.I have enclosed my configuration file along with this mail.

Thanks in advance.
Ramya.L.

       
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• application/octet-stream attachment: 429265869-resmd.conf

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