[gmx-users] Bug in g_rms -> calculate RhoSc ??

[Anton Feenstra]

Marcin Wojciechowski wrote:
> 
>    I havent't tried that, but if we speak about possible bug in g_rms
> then i've experienced problems with -skip option. I had a 1ns xtc
> trajectory file with 1ps writing frequency and wanted to take structures
> to compare every 10ps. G_rms was ignoring the -skip settings and keeping
> comparing every step. I had to use trjconv first, generate "skipped xtc"
> and then run g_rms.
> 
> Could it be a bug in the code?

-skip is only used when generating rms matrices.


-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Vrije Universiteit Amsterdam |
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