AW: Change pressure during simulation

From: Norman Geist (
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: [] Im Auftrag von Monika Madhavi
Gesendet: Mittwoch, 15. November 2017 08:08
An: <> <>
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,


W.A.Monika Madhavi
Lecturer (Probation),
Department of Physics,
University of Colombo.

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