[gmx-users] Regarding Creating a molecule and fitting it to CHARMM forcefield

[Dilip H N]

Hello all,
I want to create a molecule (methylamine) and want to run  the simulation
in CHARMM forcefield..
1] How can i create the molecule methylamine such tht its residues fit into
CHARMM forcefield..??
2] How do i get its topology/itp for running the simulation..???
3] If the required molecule is not there in the specific force filed (say
CHARMM), than how can i add the desired molecule into the forcefield tht i
needed with all its information (itp,rtp,etc..)..??

Thank you....


-- 
With Best Regards,

DILIP.H.N
Ph.D Student



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