Hi Tsjerk,
i used the command in format-
g_mindist -f md.xtc -s md.tpr -n 13.ndx -od 13.xvg -on 13.xvg -o 13.out -b
500 -e 1500 -d 0.5
so here i obtain the output-
atmpair.out-
0.00e+0013 21161
1.00e+0013 21161
2.00e+0013
On 22/09/2011 4:43 PM, Tsjerk Wassenaar wrote:
Hi Aiswarya,
What did you do, what did you get, what did you expect and what is
your hunch regarding the difference between your result and your
expectation?
And have you checked out g_mindist -h?
Mark
Tsjerk
On Thu, Sep 22, 2011 at 8:21 AM,
Hi Aiswarya,
What did you do, what did you get, what did you expect and what is
your hunch regarding the difference between your result and your
expectation?
Tsjerk
On Thu, Sep 22, 2011 at 8:21 AM, aiswarya pawar
wrote:
> Hi users,
>
> The g_mindist gives the minimum distance between the atoms
Hi users,
The g_mindist gives the minimum distance between the atoms other than the
actual distance.
Thanks
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