From: Life Sciences Inc (contact.lifesciences.inc_at_gmail.com)
Date: Thu Feb 16 2017 - 16:46:32 CST
Hi All
I am facing a problem with Npt for the lipid system while giving 2 as full
elect frequency in namd. It is returning an error of periodic cell becoming
too short, I tried with 1 and the job is running fine. I have tried
solutions given in the namd forum but still unable to run the job with 2. I
tried changing margin tried also running the job with small time step but
nothing is working. Althought with NVT simulation lipid system is running
with 2 value but as I switch back again to NPT somehow electrostatics with
2 is not working. Can this problem be solved ?
Thanks in advance
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