VMD-L Mailing List

From: Johannes von Langen (langen_at_imb-jena.de)
Date: Tue Jun 11 2002 - 03:57:29 CDT

Hi Raik,

I made a little different experience:

delete just the last line (the one with the box infos) in the restart
file *.rst

on vmd-1.8 you have to do the same, but you also have to delete the
second frame! ("Delete Timestep")

John

>Le Mardi 4 Juin 2002 11:08, Raik Grunberg a écrit :
>> Hi VMDevelopers,
>>
>> perhaps I stumbled accross a small bug here:
>>
>> in previous vmd versions one could use the "parm and crd" file filter to
>> display both amber 6 trajectories and restart files. Vmd 1.7.1 still
>> handles amber6-generated trajectories (i.e. topology and crd file) without
>> problems but something goes wrong when opening restart files (parm and
>> rst). The atoms are there but the connectivity is wrong.
>>
>> Best regards!
>> Raik
>>
>
>You need to :
>1 - remove the first line of the parm file
>or
>2 - create your trajectory with the option nobox in ptraj.
>
>Stef 

-- 
Johannes von Langen                       langen_at_imb-jena.de
Institut fuer Molekulare Biotechnologie   
Beutenbergstrasse 11, Jena                Tel.: +49-3641-65-6213
Postfach 100 813, D-07708 Jena, Germany   Fax:  +49-3641-65-6210