[gmx-users] Regarding the forcefield, topology..

Dilip H N cy16f01.dilip at nitk.edu.in
Fri Jun 9 07:12:39 CEST 2017


Hello,
1] I want to simulate molecules as Methylamine(CH3NH2),Dimethylamine((CH3)2NH),
Trimethylamine((CH3)3N), TrimethylamineN-oxide((CH3)3NO-).
Can anybody suggest me the right forcefield in gromacs for these
molecules....in which forcefield is this available along with its residues..
2] Are the forcefields for all these molecules available in the same
forcefield..?
3] and thn i want to simulate an aminoacid with the above molecules...how
can i simulate if the aminoacid and the above said molecules are in
different forcefields..??

Thank you

-- 
With Best Regards,

DILIP.H.N
Ph.D Student



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