VMD-L Mailing List

From: MengJuei Hsieh (mengjueh_at_uci.edu)
Date: Mon Jul 15 2002 - 15:48:53 CDT

on 7/15/02 4:17 AM, Stéphane Teletchéa at
steletch_at_biomedicale.univ-paris5.fr wrote:
> There is two types of coord files in AMBer : restart or crd.
> The first one is a ten column file, the second a six column one.
> It is proposed in the menu to load a crd file, atlhough is it meant to read a
> restart file.
> I think it would be correct to describe it as rst file (with/without box) and
> use the crd description for the real crd file.
> One trick is to remove the first line of the crd, but it doesn't work all the
> time.
> Stef
> I can provide examples if needed.

Dear Stef,

Restart file seems to contain some information like speed more than
coordinate file. I don't know how to load AMBER restart file directly, but
since it's the output file of the simulation. You can also generate
trajectory file. I do know how to read trajectory(and coordinate) file, you
just need to use the "parm and crd" option when you are loading molecule
from file.

Any idea?

Best, 

--
Mengjuei