[gmx-users] Is something wrong wih my mdp?

chenxianli 1471769256 at qq.com
Tue Apr 8 13:22:34 CEST 2014


Dear Kalyan:
Thank you so much for your reply! It's very helpful!
However, there's still  something I wanna know. In my MD simulation ,I fixed
part of RNA and relaxed the rest which I'm interested in to calculate the
ratio . In this situation, "constraints= all-bonds" can be replaced by
"constraints= h-bonds"?  (using the AMBER force field)

--
View this message in context: http://gromacs.5086.x6.nabble.com/Is-something-wrong-wih-my-mdp-tp5015715p5015722.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.


More information about the gromacs.org_gmx-users mailing list