Dear David and Stefano,
I have loaded the parmtop file before the mdcrd, and loaded it as a file for
parmtop, and there is PBC information in the mdcrd, but it doesn't matter I
choose "crd" or "crdbox", the same thing will happen, I tried rst file as
well, no luck. any other ideas?
at the same time, I am downloading chimera, see if it will work.
Thank you all,
Ruzhen
----- Original Message -----
From: "David Smith" <David.Smith.irb.hr>
To: <amber.scripps.edu>
Sent: Tuesday, November 30, 2004 2:19 PM
Subject: Re: AMBER: problem loading mdcrd to VMD
> Dear Ruzhen,
>
> There are a few tricks. First you have to load in a parmtop file. You
> should know if this is a new or old format and then choose "parm" or
> "parm7" accordingly from the vmd menu.
>
> Then you need to load the .mdcrd file not as a new molecule but as a
> file for the preloaded prmtop. Then you need to know if your .mdcrd file
> has box information or not and choose "crd" or "crdbox" accordingly.
> Alternatively, if your file is really a rst file from Amber 7 or 8 you
> can choose "rst7".
>
> Hope this helps.
>
> --
> Dr. David Smith
> Division of Organic Chemistry and Biochemistry
> Rudjer Boskovic Institute
> Bijenicka 54
> 10002 Zagreb, Croatia
> tel: +385-1-4561252
> fax: +385-1-4561118
>
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Received on Tue Nov 30 2004 - 17:53:00 PST
