From: Sebastian Stolzenberg (stolzenberg.sebastian_at_gmail.com)
Date: Thu May 29 2008 - 12:49:36 CDT
is it possible to change the output dcd file name during a NAMD run?
Say I have a "minimization" for 1000 -> min.dcd
and then a "run" for 100 steps -> equ.dcd
We tried changing the "DCDfile" variable, but this is only possible
PRIOR to any simulation.
Also, using "catdcd" after the NAMD run I would like to avoid - if possible.
Thank you very much,
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:49:30 CST