[Chimera-users] some questions about new features, in particular MD

Lionel Nauton lionel.nauton at univ-bpclermont.fr
Fri Aug 23 00:50:13 PDT 2013


I was very pleasantly surprised to discover a molecular dynamics module 
in the latest version of chimera, I used already "MD movie" to see the 
dynamics with NAMD made​​, but the ability to make dynamic from chimera 
is a real plus, thank you for that.
in spite of this, one thing I do not understand why the minimization 
phase is parallelizedin the dynamics module and is not in standard mode, 
is a planned evolution, I'm too impatient?
Second, in the latest version (21-08-2013), I can not read trajectories 
files from GROMACS , I saturate the RAM (16 GB and 7 GB swap) and the 
program exits.the same dynamics made with NAMD in .dcd formatworks well, 
any idea ?

that's all

thanks for your very good job.

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