VMD-L Mailing List

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Thu Jul 17 2008 - 12:52:33 CDT

Hi Bryan,
you want either
-top "first.inp second.inp"
or
-top {first.inp second.inp}
The -top flag takes a single argument, so you need to group your
topology files so that they all get recognized.

Best,
Peter

brosbam_at_berkeley.edu wrote:
> Hi,
> I wrote a tcl script that will be called in so create a pdb/psf pair using
> the autopsf package. My question is about the "-top" option: if I want to
> specify two topology files do i do this:
>
> -top first.inp second.inp
> or
> -top first.inp -top second.inp
>
> I have tried both, but its difficult to tell which is yielding the correct
> psf. Thanks,
> Bryan
>