[gmx-users] g_density problem

[Dallas Warren]

Typically selections are done by typing from the keyboard after the script
has been run.  However, since you appear to be submitting it to a cluster
(using qsub) then the selections need to be done from the command line.

See
http://manual.gromacs.org/documentation/2019-beta1/onlinehelp/selections.html#specifying-selections-from-command-line

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a
nail.


On Sun, 7 Apr 2019 at 00:34, 郑仁慧 <zrh at ustc.edu> wrote:

> Dear all:
>     For my trr file is large (2T), I use g_density to calculate the
> density of protein with a pbs file. However when I qsub the pbs file, I
> cannot select the Group and there is fatal error. Attachments are the pbs
> and error files. Can anybody solve the problem? Thank you very much for
> your help in advance.
> Sincerely
> Ren-hui Zhneg
>
>
>
>
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