[AMBER] Error in running mmpbsa and mmgbsa

From: AMANPREET KAUR via AMBER <amber.ambermd.org>
Date: Mon, 19 Jun 2023 12:29:31 +0530

*Hlo everyone *
*I am running the command for mmpbsa and gbsa which says:*

ante-MMPBSA.py -p solv_8e1x_noh.com.prmtop -c dry_complex.prmtop -s

ante-MMPBSA.py -p solv_8e1x_noh.com.prmtop -c receptor_dry.prmtop -s
ante-MMPBSA.py -p solv_8e1x_noh.com.prmtop -c ligand_dry.prmtop -s

MMPBSA.py -O -i mmpbsa.in -o mmpbsa.out -cp dry_complex.prmtop -rp
-lp ligand_dry.prmtop -y mD.nc

*But getting an error*
Loading and checking parameter files for compatibility...
cpptraj found! Using /apps/codes/amber20/amber20_src/bin/cpptraj
mmpbsa_py_energy found! Using
Preparing trajectories for simulation...
  File "/apps/codes/amber20/amber20_src/bin/MMPBSA.py", line 99, in <module>
line 155, in file_setup
    self.numframes, self.numframes_nmode = make_trajectories(INPUT, FILES,
line 104, in make_trajectories
line 646, in Strip
    raise InternalError('Cannot pass no mask to Strip!')
InternalError: Cannot pass no mask to Strip!
Fatal Error!
*How to rectify this kindly help!!!! *
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Received on Mon Jun 19 2023 - 00:30:03 PDT
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