[gmx-users] more digits

David van der Spoel spoel at xray.bmc.uu.se
Fri Jun 19 08:05:50 CEST 2009


Shuangxing Dai wrote:
> Hi, all,
>    I need more digits to input information. But the default format of 
> pdb file for coordinate is %8.3f. Can I modify the pdbio.c file to 
> achive this goal? Or is there any other direct ways to input more digits 
> coordinate information in Gromacs?

Use a g96 file.

> Thanks in advance.
> Shuangxing Dai
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Professor of Biology
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://folding.bmc.uu.se
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