AMBER Archive (2004)

Subject: AMBER: antechamber

From: anshul_at_imtech.res.in
Date: Sat May 15 2004 - 11:43:48 CDT

Hi all,
I am facing some problems while using antechamber in amber7 to generate
charges and atomtypes for a molecule. everytime i run it using mopac 7 it
gives me this message

antechamber -i atra+lys_min.pdb -fi pdb -o atra.prepin -fo prepi -c bcc
Running: /home/users/harpreet/amber7/exe/mopac.sh ANTECHAMBER_MUL.MOP
ANTECHAMBER_MUL.OUT
Unable to find mopac charges in ANTECHAMBER_MUL.OUT
 but it the ANTECHAMBER_MUL.OUT file is always empty, it does not write
anything in it.

I tried to run the same system using mopac 5010mn but then also it gave
the same error while this time there were a few lines written in the OUT
file

*******************************************************************************
 * MOPAC: VERSION 5.010 CALC'D. Sat May 15 11:38:17 2004
 * GEO-OK - OVERRIDE INTERATOMIC DISTANCE CHECK
 * MMOK - APPLY MM CORRECTION TO CONH BARRIER
 *
 *
 *
 * CHARGE ON SYSTEM = 0
 *
 *
 *
 * T= - A TIME OF 3600.0 SECONDS REQUESTED
 * DUMP=N - RESTART FILE WRITTEN EVERY 36000.0 SECONDS
 * AM1 - THE AM1 HAMILTONIAN TO BE USED

***********************************************************************015BY020
 AM1 MMOK GEO-OK CHARGE=0
 remark line goes here

    ATOM CHEMICAL BOND LENGTH BOND ANGLE TWIST ANGLE
   NUMBER SYMBOL (ANGSTROMS) (DEGREES) (DEGREES)
    (I) NA:I NB:NA:I NC:NB:NA:I NA NB NC
          CARTESIAN COORDINATES
    NO. ATOM X Y Z
 TOTAL CPU TIME: 0.00 SECONDS

does anyone have any idea about it.

I am attaching th einput pdb file with this mail.

Anshul


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