[gmx-users] fitting

David van der Spoel spoel at xray.bmc.uu.se
Thu May 23 23:17:24 CEST 2002

On Thu, 23 May 2002 rams at poori.biochem.uiowa.edu wrote:

>I found a way to do it - just convert everything into a pdb file first.
>I took my trr and converted it into pdb using trjconv and then used
>trjconv with -s and -f -fit -o and i am back to work...
>The quirks of programs - what would one do without these mailing lists...

But it shouldn't be necessary... And imagine you have a big trajectory...
pdb is 6 times larger than trr, which is 3 times larger than xtc...

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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