[AMBER] Keyerror about mmpbsa

From: ZangRiran via AMBER <amber.ambermd.org>
Date: Tue, 27 Jun 2023 15:20:17 +0800 (GMT+08:00)

I am running mmpbsa in amber18 using the following command" MMPBSA-1.py -O -i mmpbsa.in -o mmpbsa.dat -do final_mmpbsa.dat -sp com_solvated.prmtop -cp com.prmtop -rp ras.prmtop -lp raf.prmtop -y md.crd"
But I am encountering an error which says "Loading and checking parameter files for compatibility...
sander found! Using /mnt/disk1/software/AMBER18/amber18/bin/sander
cpptraj found! Using /mnt/disk1/software/AMBER18/amber18/bin/cpptraj
Preparing trajectories for simulation...
  File "/mnt/disk1/software/AMBER18/amber18/bin/MMPBSA-1.py", line 99, in <module>
  File "/mnt/disk1/software/AMBER18/amber18/lib/python2.7/site-packages/MMPBSA_mods/main.py", line 156, in file_setup
    self.mpi_size, str(external_progs['cpptraj']), self.pre)
  File "/mnt/disk1/software/AMBER18/amber18/lib/python2.7/site-packages/MMPBSA_mods/make_trajs.py", line 104, in make_trajectories
  File "/mnt/disk1/software/AMBER18/amber18/lib/python2.7/site-packages/MMPBSA_mods/make_trajs.py", line 646, in Strip
    raise InternalError('Cannot pass no mask to Strip!')
InternalError: Cannot pass no mask to Strip!
Exiting. All files have been retained."
How to rectify this kindly help as I am badly stuck in this.
Thank you,

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Received on Tue Jun 27 2023 - 00:30:02 PDT
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