Yun,
the description of rms2d in the manual (AmberTools23 p. 830) would
suggest something like:
parm xyz.prmtop
trajin traj1.nc
rms2d .CA out test2drms.gnu reftraj traj2.nc
Does this work?
Best,
Anselm
PD Dr.rer.nat.
Bioinformatik | NHR.FAU
Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)
Germany
Am 18.07.2023 um 08:06 schrieb yunshi11 via AMBER:
> Hi all,
>
> I am trying to compare traj1.nc vs traj2.nc. They have the same topology in
> xyz.prmtop.
>
> Using rms2d, how to generate a 2d rms comparison?
>
> I tried the following in cpptraj but it gave me a comparison of traj1.nc vs
> traj1.nc instead:
>
> parm xyz.prmtop
> loadcrd traj2.nc
> trajin traj1.nc
> rms2d .CA out test2drms.gnu reftraj traj1.nc
>
> Thanks,
> Yun
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Received on Tue Jul 18 2023 - 05:30:02 PDT
