AMBER Archive (2006)

Subject: RE: AMBER: mdcrd file

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Thu Sep 07 2006 - 17:52:28 CDT

Dear Jianhui,

You can do this with ptraj:

trajin mdcrd start stop offset
trajout mdcrd_new

Where start is the first frame of mdcrd you want (e.g. 1) and stop is the
last frame you want. And offset is the frame step you want. E.g. 2 would
give you every other frame.

Note you can also load partial mdcrd files into vmd.

In the molecule file browser you can select a start a stop and a stride
value.

All the best
Ross

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|\oss Walker

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> -----Original Message-----
> From: owner-amber_at_scripps.edu
> [mailto:owner-amber_at_scripps.edu] On Behalf Of Jianhui
> Sent: Thursday, September 07, 2006 07:16
> To: amber
> Subject: AMBER: mdcrd file
>
> Hello amber-users,
>
> I have run a system for 2ns and wrote down the mdcrd file
> every 1ps, which makes the mdcrd file too big to load
> completely in vmd. What I want to do is to select one frame
> every 2ps or 3ps second, is there any command in AMBER to do
> it? Thanks.
>
> Best regards,
>
> Jianhui
> tianj_at_rpi.edu
> 2006-09-07
>
>
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