Dear Amber users
i am running the antechamber program on amber6 with the pdb of my drug
molecule .
the command run is
./antechamber -i mtx.pdb -o mdpdb -fi pdb -fo prepin -c bcc
The error is
/usr/AMBER7/amber7/exe/mopac.sh ANTECHAMBER_MUL.MOP ANTECHAMBER_MUL.OUT
sh: /usr/AMBER7/amber7/exe/mopac.sh: cannot execute Unable to find mopac
charges in ANTECHAMBER_MUL.OUT
the outlook of my mopac.sh file after aking some changes in the origna
file is
#! /bin/csh -f
# Edit the following to match your local environment; the syntax # for
calling this shell script should be: mopac.sh input output. # Depending
on which version of mopac you have, you may need to remove # the "<" and
">" symbols below, or make other changes. For example, # some versions of
mopac expect the input file to be "FOR005" and the # output to be
"FOR006"; some versions require the input file to end in # ".DAT", etc.,
etc. /usr/AMBER7/amber7/exe/mopac <$1 > $2
Please tell me what changes should I do.
Manpreet Kaur Narang
Research Scholar Deptt.Biotechnology
Indian Institute of Roorkee (IITR) Roorkee 247 667 India
Received on Tue Oct 15 2002 - 07:49:52 PDT
