Date: Thu, 31 Dec 2020 15:23:45 +0530
Hii,
first for combining the nc files i used following cpptraj input:
parm ABC_wation.prmtop
trajin md*.nc 1 last 10 # load frames in steps of 10
autoimage # automatic centre
strip :WAT # strip all residues with name WAT
trajout ABC_25.nc netcdf ! write out combined trajectory from 20.1ns run
go
further for the rmsd:
parm ABC_ion.prmtop
trajin ABC_25.nc
autoimage anchor :1-123
rms first out rmsd.dat .CA
and the resultant plot is attached below
[image: image.png]
-- Sincerely, *Syeda Amna Arshi* *Ph.D. Scholar* Multidisciplinary Centre For Advanced Research and Studies Jamia Millia Islamia Delhi-110025 Ph.no: 7737638065 [image: Image result for save world by plant][image: Image result for save world by plant white background]
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(image/png attachment: image.png)
