Re: AMBER: carnal

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Tue, 24 Feb 2004 09:49:16 -0800 (PST)

Did you use the same prmtop for the RMS run?

> I used carnal to concatenate several mdcrd trajectory file into one file
> and then read the file into carnal to do RMS fit. I got the error
> message " too many numbers on box line for mdcrd format - bad coord
> file or carnal bug" . The carnal input file to combine the trajectory
> file is as followed. Anything wrong? By the way my system is
> water-solvated. Thanks.
>
> Youyi
>
> carnal input file:
>
> FILES_IN
> PARM p1 pfmrk_sol.prmtop.gz;
> STREAM s1 3.crd.gz 4.crd.gz 5.crd.gz 6.crd.gz 7.crd.gz 8.crd.gz
> 9.crd.gz;
> FILES_OUT
> COORD c1 MDtraj_pt.crd CRD;
> DECLARE
>
> OUTPUT
> COORD c1 s1;
> END
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Feb 24 2004 - 17:53:00 PST
Custom Search