[AMBER] Cpptraj and parmwrite and strip

From: Khabiri, Morteza <khabiri.med.umich.edu>
Date: Fri, 1 Sep 2017 18:16:16 +0000

Hi All


I am trying to strip the solution from my system by strip command and write the amber topology file for the stripped system. I am using the following commands:

parm run.prmtop
reference run.inpcrd
trajin mdcrd_03.nc
strip :WAT
strip :K+
strip :Cl-
strip :MMG
strip :100,129
parmwrite out run_strip2.parm7 nochamber
trajout run_strip2.pdb pdb onlyframes 1,1
trajout run_strip.nc

Unfortunately the parmwrite is writing original topology file (run.prmtop) to run_strip2.parm7. In fact there is nor strip parm file as output.

Any suggestion appreciated.


Thanks

Morteza
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Received on Fri Sep 01 2017 - 11:30:03 PDT
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