Dear All,
I have done the metalloprotein molecular dynamics using AMBER.
I have to generate the RMSD for metal. My metal corresponds to residue
number 250 and atom number 4100.
I have checked the generation of RMSD by:-
rms first out rmsd.xvg :250 time 0.01 (for residue)
and
rms first out rmsd.xvg .4100 time 0.01 (for atom number)
But, I got the rmsd 0 throught the molecular simulation for both cases.
I am not able to figure out how to resolve this issue.
Thank you in advance
Thanks & Regards,
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Received on Thu Mar 07 2019 - 03:30:01 PST
