VMD-L Mailing List

From: Θωμας Ευαγγελιδης (te8624_at_mbg.duth.gr)
Date: Tue Sep 11 2007 - 10:07:23 CDT

Leo,
yes I tried that too, it worked good up to the 6th frame (if I remember
correctly) and then failed again. Whenever I didn't do that it failed
instantly.
Thomas

> On Tue, Sep 11, 2007 at 02:19:53PM +0300, Θωμας Ευαγγελιδης wrote:
> > I used "mybigdcd.tcl" in my code and everything worked fine. Now I
> > confront another difficulty. The code that I described in my previous
> > message was a part of a bigger program. That program uses bigdcd twice
> > and while the first proc is executed correctly, the second proc fails
> > to terminate.
>
> Did you try sourcing mybigdcd.tcl again before running the second proc?
> From a quick look, that seems necessary at least to set the variable
> $bigdcd_is_done back to zero.
>
> Cheers,
> Leo
>
> --
> Leonardo Trabuco, Ph.D. student
> Theoretical and Computational Biophysics Group
> University of Illinois at Urbana-Champaign
>