AMBER Archive (2004)

Subject: Re: AMBER: problem loading mdcrd to VMD

From: David Smith (David.Smith_at_irb.hr)
Date: Tue Nov 30 2004 - 08:19:24 CST

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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