[AMBER] MMGBSA Entropy Error: Trajectory _MMPBSA_complex.mdcrd.1 has 0 frames!

From: Cuiyl <cuiyinglukitty.gmail.com>
Date: Wed, 18 Dec 2013 10:13:22 +0800

Dear Amber users:

    I've been simulating a protein system containing Fe atoms.I am trying
to do an MMPBSA calculation on my protein complex. Previous MMPBSA
caIculations of PB/GB and energy decomposition ended normally. But when I
try to calculate entropy I get an the error:

TrajError: Trajectory _MMPBSA_complex.mdcrd.1 has 0 frames!
Error occured on rank 0.
Exiting. All files have been retained.
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0

My input file is as follows:
input file for running PB and GB
# igb=5, saltcon=0.100,
# istrng=0.100,
   nmstartframe=1, nmendframe=12000,
   nminterval=1000, nmode_igb=1, nmode_istrng=0.1,
# idecomp=1, dec_verbose=1, print_res="1-464"

Any ideas of how to overcome this problem?

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Received on Tue Dec 17 2013 - 18:30:02 PST
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