Dear Gromacs Experts,
Let's say that for some reasons I don't want to specify the atom group when
g_rms (or other module) prompts me to do so.
So I do not want to see this:
Select group for RMSD calculation
Group 0 ( System) has 38387 elements
Group 1 (Protein) has 3470 e
O'right, I have figured that out myself. Just use text file like data.txt
with two lines:
1
1
and redirect it: g_rms [options] < data.txt
2015-09-17 11:32 GMT+01:00 Dawid das :
> Dear Gromacs Experts,
>
> Let's say that for some reasons I don't want to specify the atom group
> when g_rms (or oth
Hi,
Yes. Further options at
http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts
Mark
On Thu, Sep 17, 2015 at 1:04 PM Dawid das wrote:
> O'right, I have figured that out myself. Just use text file like data.txt
> with two lines:
> 1
> 1
>
> and redirect it: g_rms [options] <
Thank you.
2015-09-17 12:37 GMT+01:00 Mark Abraham :
> Hi,
>
> Yes. Further options at
> http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts
>
> Mark
>
> On Thu, Sep 17, 2015 at 1:04 PM Dawid das wrote:
>
> > O'right, I have figured that out myself. Just use text file like dat
