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Questions related from Soumendranath Bhakat
Hej all, Silly question in case of a Plumed input like the following I know that KAPPA is the force constant for the wall and EXP is the power for the walls. KAPPA 5000.0 EXP 4.0 I am running...
02 February 2018 10,176 1 View
Hii, I ran a simulation and now wants to calculate distance between C-alpha atoms say for example atom number 300 and 402. Any idea how gmx post processing tool execute it? /SB
07 July 2015 2,031 10 View
In case of MD simulation starting from a crystal structure we used to deviate a lot from the initial starting conformation. And the traditional way to calculate MM/PBSA or GBSA based free energy...
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