Dear AMBER users,
I appreciate if you could help me in setting up a MD simulation using AMBER
for the following
1. CHARMM27 force field for proteins.
2. Lengevin dynamics for all nonhydrogen atoms with a damping
coefficient of 1ps^-1 was used in maintaining a constant temperature of
310K throughout the system.
3. Constant pressure of 1 atm was maintained using a Nosé–Hoover
Langevin piston with a period of 100 fs and damping timescale of 50 fs.
How can I use this information in my control files?
Thanks in advance!
Best Regards,
Alaa
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Received on Wed Jul 15 2015 - 06:30:02 PDT
