> I'd like to make pseudo-trajectory file from a number of pdb or
> coordinate/restart files. Is there a way to do that by using either Ptraj
> or Carnal?
In carnal, put your pdb files in a STREAM and point it at
a COORD (default is mdcrd format). Adapting the simple
initial example in the carnal manual:
FILES_IN
PARM p1 ketop;
STREAM s1 a.pdb b.pdb c.pdb;
FILES_OUT
COORD c1 abc.crd;
DECLARE
OUTPUT
COORD c1 s1;
END
Bill
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Mar 17 2004 - 06:53:00 PST
