Dear Sir/Madam,
I am trying to run rmsd.dat file for my ligand-protein complex using
cpptraj in AMBER14. I found the following error is coming every time, so
that I cant get my rmsd.dat file.
*ACTION SETUP FOR PARM 'com_solv.top' (1 actions):*
* 0: [rms reference out rmsd_MUT.dat :1-249 .N,CA,C time 10.00]*
* Target mask: [:1-249](4059)*
*Warning: Number of atoms in target mask (4059) does not equal*
*Warning: number of atoms in reference mask (738).*
*Warning: Setup failed for [rms reference out rmsd_MUT.dat :1-249 .N,CA,C
time 10.00]: Skipping*
I am using the input file,
*trajin prod.mdcrd*
*trajin prod1.mdcrd*
*trajin prod2.mdcrd*
*trajin prod3.mdcrd*
*reference heat.rst*
*rms reference out rmsd_MUT.dat :1-249 .N,CA,C time 10.00*
I am attaching the progress.log for your reference. Kindly help me to sort
out the problem.
Thanking You
*With Best Regards*
*S. Manjula*
*Research Scholar*
*Laboratory of Biocrystallography and Computational Molecular Biology*
*Department of Physics*
*Periyar University*
*Salem-11*
*Tamilnadu*
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Received on Thu Feb 01 2018 - 02:30:03 PST
