From: Udaysankar Midya (umidya.iitkgp_at_gmail.com)
Date: Sat Dec 31 2011 - 05:23:35 CST
I have carried out the minimization of 9261 TIP4P water in NAMD2.8 with the
CHARMM topology and parameter files attached below.
Out put coordinate file shows that the forth ghost atom (OM) of some
water is detached from the water molecule.
Some water molecule is also broken.
Log file shows that the GPRESSURE is nan
Can anyone fix this problem.
Log and restart files are also attached.
Any help will be highly appreciated.
Uday Sankar Midya
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