Swati Panigrahi

2 Questions 1 Answers 0 Followers

Questions related from Swati Panigrahi

GROMACS and flat-bottom position restraints

Hi, I want to know whether the flat-bottom position restraints can be applied only for the pull code in umbrella sampling or it can be use for NPT or MD simulation of GROMACS (not umbrella...

24 May 2017 8,286 1 View

How to apply refcoord-scaling=com in gromacs

Hi, I am new to GROMACS. I have a doubt. Suppose I have two groups in my system and I want to restrain the Centre of mass of a particular group, then how to specify this in the...

23 May 2017 9,288 3 View