Dear Amber Users,
Hope you are doing well.
How to calculate the velocity in steered molecular dynamics simulation?
https://ambermd.org/tutorials/advanced/tutorial26/section1.html is the
tutorial I am following.
Please help me out. I need to plot the Force vs extension curve from the
outputs. I am using the formula F=k(vt-x) and vt=extension. But I do not
know if the way I am calculating the velocity is correct or not?
Could you guys please help me out?
Thanks.
Regars,
--
Pinky, Sharmi
AL,US
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jul 24 2020 - 21:00:04 PDT
