AMBER Archive (2002)

Subject: Re: "crd" file created with VMD

From: Carlos Simmerling (carlos.simmerling_at_sunysb.edu)
Date: Tue Jul 23 2002 - 22:02:50 CDT

now that I look at it closer it looks more like
a trajectory file, not a coordinate/restart file.
that would explain the lack of # atoms and the format.
carlos

----- Original Message -----
From: "Soonmin Jang" <sjang_at_protege.snu.ac.kr>
To: <amber_at_heimdal.compchem.ucsf.edu>
Sent: Tuesday, July 23, 2002 8:47 PM
Subject: "crd" file created with VMD

> Here is more info about 'crd' file I created with VMD.
>
> cqd1[vii] 1> head a.crd
> TITLE
> 36.039 65.537 -11.797 36.952 66.130 -11.743 36.802 67.111 -12.193
37.633
> 65.521 -12.337 37.339 66.272 -10.250 36.806 65.488 -9.442 38.257
67.190
> -9.968 38.510 67.836 -10.702 38.759 67.340 -8.567 39.442
66.553 -8.247
> 39.621 68.633 -8.454 39.235 69.576 -8.842 40.000 68.813 -7.448
40.883
> 68.407 -9.312 41.159 67.355 -9.389 40.611 68.640 -10.342 42.388
69.313
> -9.067 41.869 71.061 -8.901 42.806 71.546 -8.627 41.288
71.375 -9.768
> 41.169 71.089 -8.066 37.652 67.309 -7.423 37.718 66.545 -6.414
36.512
> 67.989 -7.597 36.454 68.558 -8.430 35.413 68.120 -6.648 35.845
67.988
> -5.656 34.846 69.465 -6.822 34.220 69.539 -5.933 35.623
70.229 -6.778
> cqd1[vii] 1>
>
> On VMD, I read the file as "parm and crd" to see the movie after MD run
with sander.
> The way I created a.crd from VMD is using "edit" menu on VMD.
> I choosed option 'crd' there and selected specific frame to write
> crd file.
>
> Thank you again.
>
> Soonmin
>
>