Dear Amber users:
We're back to trying to use carnal and we could use some help. We are trying to write out a normal vector to a plane described by three atoms (#s 256-258) in a trajectory into a CRD file (or PDB). Our carnal input file (analin) looks like what is below. All that gets written to the file cno2.pdb is CARNAL dump. So, it looks like we've screwed up something between the DECLARE and OUTPUT statements so that there is nothing to write. We've played around a bit with this but other that generating errors, no luck. Any suggestions. Thanks.
FILES_IN
PARM p1 tat5m_md_nowatNA.top;
STREAM s1 tat5m_md_nowatNA.traj;
FILES_OUT
COORD crd cno2.pdb CRD;
DECLARE
PLANE pn1 256 257 258;
OUTPUT
COORD crd s1 SELECT (256-258);
END
Received on Wed May 10 2000 - 06:37:37 PDT
