From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Wed Nov 15 2017 - 01:28:06 CST
Remembering that the NAMD input script is simply TCL, it’s easily scriptable as something like:
set start 1; #bar
set incr 0.1; #bar
set runs 10
for {set i 0} {$i < $runs} {incr i} {
langevinpistontarget [expr $start+($i*$incr)]
run 1000000
}
Good luck
Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im Auftrag von Monika Madhavi
Gesendet: Mittwoch, 15. November 2017 08:08
An: <namd-l_at_ks.uiuc.edu> <namd-l_at_ks.uiuc.edu>
Betreff: namd-l: Change pressure during simulation
Hi everyone,
Is there a way to gradually change the pressure of the system as it is done for heating in NAMD?
Thank you.
Best regards,
Monika
-- W.A.Monika Madhavi Lecturer (Probation), Department of Physics, University of Colombo.
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