Thanks to Florain for prompt reply
May be this is trivial query to you
I have done in this way
1. Making index file
make_ndx -f .gro -o .ndx
selected 7(mainchain+H)& r 24 26 45 67 78
the index showed like this
[ MainChain+H_&_r_22_50_56_121_22 ]
370 370 371 371 372 372 386 386
Hi,
On Wednesday, 3. September 2008, minnale wrote:
> Thanks Florian for your detailed reply
> when I mentioned -r and -a options in g_hbond command its showing
> Fatal error:
> Expected a real argument for option -a
> similar error showing when I mentioned cutoff radius(-r) or cutoffangle
> (-a)
Thanks Florian for your detailed reply
when I mentioned -r and -a options in g_hbond command its showing
Fatal error:
Expected a real argument for option -a
similar error showing when I mentioned cutoff radius(-r) or cutoffangle
(-a)
Could you please suggest me
Thanks in advance.
On Wed, 03 Se
Hi,
On Wednesday, 3. September 2008, minnale wrote:
> Thanks Justin for your valuable suggestions
> I have done the way you suggested. I gave command like this
> g_hbond -f .xtc -s .tpr .ndx(contain 5 residues mainchain+H 25 atoms) -num
> .xvg -hbm .xpm it showed
> Select a group: 15
> Selected 1
Thanks Justin for your valuable suggestions
I have done the way you suggested. I gave command like this
g_hbond -f .xtc -s .tpr .ndx(contain 5 residues mainchain+H 25 atoms) -num
.xvg -hbm .xpm
it showed
Select a group: 15
Selected 15: 'MainChain+H_&_r_22_50_56_121_22'
Select a group: 15
Sel
minnale wrote:
Hi all,
I am confusing while calculating hydrogen bonds of my protein.I issued
this command g_hbond -f .xtc -s .tpr -num .xvg
I didnt mention .ndx because I wanted to know the H-bonds in whole
protein system. I have selected mainchain+H two times, command went fine
and it s
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