From: vivek nani (viveknani786_at_gmail.com)
Date: Fri Aug 16 2019 - 02:01:18 CDT
Dear NAMD users
I have drawn a ligand in Avogadro and obtained its parameters from CGenFF.
But they also said to minimize using the CHARMM program so I followed the
instructions which were listed in the link below.
http://mackerell.umaryland.edu/~kenno/cgenff/program.php#charmmini
I got the minimized PDB (which is somewhat deviating from my original PDB).
should I use this PDB to carry out further simulations?
Thank You in advance.
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