VMD-L Mailing List

From: Bogdan Costescu (bcostescu_at_gmail.com)
Date: Wed Nov 07 2012 - 04:51:37 CST

On Wed, Nov 7, 2012 at 9:05 AM, Roberto Gaspari <roby.gaspari_at_gmail.com> wrote:
> This does not always happen. I tried for example to open another trr file
> produced by gromacs on another machine and it went all right.

You are changing here both the trr file and the machine, so the
conclusion doesn't have any relation to the failed try.

> If I try to load on another machine.

It's not clear to me... have you tried opening the same trr with same
version of VMD on another machine ? If so, what was the result ? Did
this other machine have more memory ?

> So it seems there's a problem in handling those libraries.

It could also be a problem of limited memory, if the trr file contains
many atoms and/or many frames. Another source of memory corruption
could be a malformed trr file; 'gmxcheck' which is part of GROMACS can
tell you whether the file is OK.

Cheers,
Bogdan