From: Albert (mailmd2011_at_gmail.com)
Date: Sun Mar 18 2012 - 07:19:22 CDT
I've built a membrane system in CHARMM GUI and I found that it generate
seven .inp file for NAMD running:
I am wondering what each .inp does? could anybody give a brief comments
on each .inp?
I also find that we can use NPT, NPAT and NPγT for ensemble. However, we
have to assign surface tension for NPAT or NPγT. I am wondering how much
should we use for NPAT or NPγT? and I am confused at the unit for those
surface tension because it use xxx/cm?
thank you very much
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:21:19 CST