[gmx-users] conformational distance D4

[David van der Spoel]

ravishk kumar wrote:
> Dear gmx-users,
> Is it possible to calculate using gromacs, the conformational distance 
> D4 (as given by (Pliska and Marinari, (1993). On heteropolymer 
> dynamics)  between all possible pairs of Ca-atoms in a configuration at 
> time t with the corresponding distances in the starting structure ?.
> 
> Thanks in advance
> ravishk
check g_rmsdist

> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. 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://folding.bmc.uu.se
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