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
| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
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> -----Original Message-----
> From: owner-amber.scripps.edu
> [mailto:owner-amber.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.rpi.edu
> 2006-09-07
>
>
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Received on Sun Sep 10 2006 - 06:07:17 PDT
