Re: AMBER: error in antechamber

From: <>
Date: Thu, 8 Apr 2004 12:36:57 -0500 (GMT)

hi Dac
i am trying to generate parameters for a molecule using antechamber. for
this i am using MOPAC5.010. when i run antechamber i get
am error which is as follows

 antechamber -i atrazine.pdb -fi pdb -o atra.prep -fo prepi -c bcc
Running: /usr/people/bvs/amber7/exe/ ANTECHAMBER_MUL.MOP
/usr/people/bvs/amber7/exe/[11]: /usr/people/bvs/mopac5010mn/:
cannot execute Cannot open ANTECHAMBER_MUL.OUT ,
 can you give some suggestions. i also tried to modify my
file as told in the mail reflectors but still the same problem. my file is like :

set job = $1 foreach file (out log brz gpt esp ump arc syb end)
     if -e $job.$file mv $job.$file $job.$file.$$
if !(-e $job.log) mkfile -n 1 $job.log setenv FOR005 $job.dat
setenv FOR006 $job.out
setenv FOR009 $job.res
setenv FOR010 $job.den
setenv FOR011 $job.log
setenv FOR012 $job.arc
setenv FOR013 $job.gpt
setenv FOR016 $job.syb
setenv FOR020 $job.ump
setenv SHUTDOWN $job.end

/usr/people/bvs/mopac5010mn < $1 > $2

can you suggest where i am going wrong.
Thanks for any help,
With regards,

The AMBER Mail Reflector
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Received on Thu Apr 08 2004 - 08:53:00 PDT
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