minimization with amberff

From: ramya narasimhan (ramya_jln_at_yahoo.co.in)
Date: Wed Dec 10 2008 - 01:47:34 CST

Hi All,
        I solvated the peptide and found the intermolecular energy using amberff (cornell ff). I have the peptide with water in both pdb and psf files. Now I want to minimize the structure with amber parameter. But it is giving the error as follows:
Charm++ fatal error:
FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE

Configuration file as follows
# protocol params
numsteps        1000

# initial config
coordinates     conf.wat.pdb
temperature     300K

# output params
outputname      conf.min
binaryoutput    no

# integrator params
timestep        1.0

# force field params
structure       conf.wat.psf
amber           on
#ambercoor       conf.wat.pdb
parameter        par_amber_cornell.inp
readexclusions  off
1-4scaling      0.8333
switching       off
#switchdist      8.0
#scnb             2
cutoff          12.0

#minimization
minimize        1000
reinitvels      300K
                           
Thanks in advance for any valuable suggestions and pointing out the error in the conf file.

Ramya.L.

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