[gmx-users] outputting coordinates in each time frame?

David van der Spoel spoel at xray.bmc.uu.se
Wed Mar 24 19:37:00 CET 2004

On Wed, 24 Mar 2004, hi hello wrote:

>Hi, I'd like to save and output the coordinates in PDB format of the 
>protein in intervals as the simulation goes on. Right now, all I get is a 
>final PDB file with water molecules at the end of the simulation. What 
>parameters should I change? Any help would be greatly appreciated. Thank 
>you very much in advance.

trjconv -o k.pdb -sep

>Robert Yang
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David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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