Hello,
I am trying to sort the frames based on my RDF output. In the RDF I can see
two conformations at a distance of 4-8 A and another at 8-10 A so I want to
see those frames so that I can visualize those conformations. I am able to
use the filter command for distance but can not use it for RDF as I cannot
name anything after radial (also attached distance command that worked
well). Can someone please help me out with this?
*#filter RDFparm CaM_solv.prmtoptrajin CaM_solv_equil.nc 1 last 1radial out
108-39.dat 0.1 15.0 :108.N1 :39.CG filter min 3.0 max 8.0 out filter.dat
outtraj distance1-filtered.nc <
http://distance1-filtered.nc> netcdf go*
parm CaMCNFiNOSout_solv.prmtop
trajin CaMCNFiNOSout_equil.nc 1 last 1
dihedral D :108.CA :108.CB :108.C2 :108.C3 out torsion.dat
filter D min 80.0 max 90.0 out filter.dat
outtraj distance1-filtered.nc netcdf
go
Thanks,
Swapnil
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Dec 21 2022 - 18:30:03 PST
