[gmx-users] Regarding the forcefield, topology..
Dilip H N
cy16f01.dilip at nitk.edu.in
Mon Jun 12 07:56:40 CEST 2017
Hello,
1] I want to simulate molecules such as Methylamine(CH3NH2),Dimethy
lamine((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
<https://mailtrack.io/> Sent with Mailtrack
<https://mailtrack.io/install?source=signature&lang=en&referral=cy16f01.dilip@nitk.edu.in&idSignature=22>
More information about the gromacs.org_gmx-users
mailing list