Hi Hai
I used the following commands:
>parm xxx.prmtop
>trajin md01.mdcrd
>trajout md01_1.out
>go
however, I obtained a very big output file (like 20GB, my mdcrd is also
20GB), with numbers which seems randomized, I dont see any "force to atom"
patten specifically.
On Wed, Jul 25, 2018 at 8:33 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> You can use either cpptraj or pytraj (Python interface of cpptraj) for that
>
> In [5]: import pytraj as pt
>
>
> In [6]: traj = pt.iterload('systemVF.nc', top='systemVF.parm7')
>
>
> In [7]: for f in traj: print(f.force)
>
> Hai
>
> On Wed, Jul 25, 2018 at 8:50 PM, Lod King <lodking407.gmail.com> wrote:
>
> > Hi all,
> >
> > I included ntwf = -f in my input parameters to run MD, and obtain a 10ns
> of
> > mdcrd, how can I can extract force from this mdcrd file ? or Does VMD can
> > do any usual analysis from that?
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Received on Fri Jul 27 2018 - 00:00:01 PDT
