From: Jerome Henin (jhenin_at_vitae.cmm.upenn.edu)
Date: Tue May 30 2006 - 19:00:02 CDT
On Tuesday 30 May 2006 10:51, hl332_at_drexel.edu wrote:
> After not getting any response from neither users nor from NAMD TEAM, i m
> writing it again. I was wondering if someone could tell " IS PERIODIC
> VELOCITY PULLING POSSIBLE IN SMD USING NAMD".I want to pull my protein
> using x(t)=x'+sin(wt) rather than simply x(t) =x'+vt.
Yes, but you will have to make a custom Tcl script that does that. See
'tclforces' in the manual.
> My second question is
> whether we can use "NOSE'-HOOVER THERMOSTAT" instead of LANGEVIN. Namd user
> guide talks something about using Nose'-Hoover pressure control for
> simualtions but is thermostat possible?
As far as I know, this is not yet implemented.
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