[gmx-users] VMD and doubleprecision trajectories

David spoel at xray.bmc.uu.se
Tue Jul 15 15:40:01 CEST 2003


On Tue, 2003-07-15 at 14:34, Luca Mollica wrote:
> Dear all users,
> 
> I'm using VMD in order to visualize both protein structures and
> trajectories from Molecular Dynamics simulations(performed using GROMACS
> 3.1.4, .trr format).
> But I have a problem: I am able only to visualize trajectories
> calculated in single precision, but I hadn't find yet a way to visualize
> double precision ones. To do so, I can only use the internal
> GROMACS not OpenGL based display(ngmx program).
> Is there a solution to this problem(e.g., VMD tools & patches)? Or do I 
> have only to use GROMACS display for double precision trajectories?
> 
trjconv -f traj.trr -o kkk.xtc

> Thank you in advance
> 
> LM
> 
> 
> 
> *******************************************************************************************************
> 
> Luca Mollica
> Dulbecco Telethon Institute (Protein Structure Laboratory)
> c/o Cellular and Molecular Neurobiology
> DIBIT-HSR,Via Olgettina 58
> 20132 Milano (Italy)
> 
> Tel: 0039-02-26434824
> Fax: 0039-02-26434813
> E-mail: mollica.luca at hsr.it
> 
> DTI website: http://www.telethon.it/dti/
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
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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