Dear All,
I would like to run a molecular dynamics simulation of a
tripeptide like organic molecule. Could anyone please provide me some idea
about how I can parametrize and create a box (water box type) of this
molecules and run MD of the system?
Many thanks in advance.
Thanks & Regards
Debasish
======================================
Debasish Mandal
Assistant Professor
School of Chemistry and Biochemistry
THAPAR Institute of Engineering and Technology,
Patiala - 147004, Punjab
India
E-mail: debu1500.gmail.com
Mob.No-07054948925
“I’m thankful to all those who said ‘NO’ to me it's because of them, I did it
myself” Einstein
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Received on Tue Dec 10 2019 - 20:30:02 PST
