Hi Shahab,
The dihedral definitions should be in the .top file. But you don't
give any clue to what you've done or what you're doing, so there's
nothing more for us to say to try and help you.
> ok. [ g_rama -f *.xtc -s *.tpr -o rama.xvg ] is my actual command line.
So you're actually using wil
Dear Tsjerk Wassenaar
thanks for your attentions.
ok. [ g_rama -f *.xtc -s *.tpr -o rama.xvg ] is my actual command line.
I get tpr file by command :
grompp -f *.mdp -c *.gro -p *.top -n *.ndx -o *.tpr
where I should put multiplicity of 3 (what file) ?
-- shahab
--
gmx-users mai
Hi Shahab,
> I used [ g_rama -f *.xtc -s *.tpr -o rama.xvg ] command for analysis of
Was that your actual command line? If you used a .tpr, why didn't it
have all the dihedrals defined then? How did you get it? Anyway, you
should be able to assert that the dihedrals mentioned are in fact your
ph
Hi all
I used [ g_rama -f *.xtc -s *.tpr -o rama.xvg ] command for analysis of
protein. gromacs give me rama.xvg as output but during calculation :
Found 68 phi-psi combinations
Dihedral around 9,11 not found in topology. Using mult=3
Dihedral around 11,18 not found in topology. Using mult=3
Dih
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