On Wed, Jan 07, 2015, Ibrahim Said wrote:
> I added the line parm protein.prmtop, but I did not get
> strip.protein.prmtop.
This sounds like progress, assuming that all the other error messages
(relating to not being able to open the protein.prmtop file) are gone.
> > > trajin 1blb_dimer-prod-1.mdcrd 1 50 1
> > > -
> > > -
> > > -
> > > trajin 1blb_dimer-prod-12.mdcrd 1 100 1
> > > trajout strip.md.nc netcdf
The above script doesn't have any "strip" commands in it. Are you actually
expecting to strip atoms?
If you want to get a stripped prmtop file (in addition to a stripped
trajectory file), you need to have a "strip" line with the "outprefix" option.
(And if you just want to combine several trajectory files into a single one,
without stripping atoms, then there is no need to create a new prmtop file.)
...hope this helps...dac
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Received on Wed Jan 07 2015 - 12:00:02 PST
