gurpreet singh wrote:
Hello users
I am carrying a protein simulation using gromacs 3.3 and g43a1 force field.
My doubt is that when i carried out minimization i found that that in
the log file there were no energy terms corresponding to some steps,
althouigh minimization went fine without any problem .
What could be the reason for this ?
can i beleive the data obtained from that minimization ?
The reason will be the values you chose in your .mdp file, and this is
explained in detail in section 7.3 of the manual.
Mark
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