Hi,
just an idea, but if there is no newline after the last command in your
script it will not be executed by xleap.
> leap.in =
> source leaprc.ff03.r1
> source leaprc.gaff
> prot = loadPdb file.pdb
> edit prot
^
make sure \n is here!
Thomas
Dr. Thomas Steinbrecher
formerly at the
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Wed May 18 2011 - 02:30:03 PDT
