Gokul Govind

2 Questions 4 Answers 0 Followers

Questions related from Gokul Govind

Is there any ways to count the number of water molecules within the solvation shell of protein using gromacs?

I wanted to count the number of water molecules around the protein for a very huge microsecond long trajectory. Is there any specific way to do that with the help of gromacs tools? Using VMD with...

26 May 2020 1,886 0 View

How to add urea as a cosolvent in gromacs?

I have tried to add urea as a cosolvent for my system by using the following command: genbox -cp tmp.xtc.gro -ci urea.gro -nmol 423 -o ureamix.gro -p topol.top And it shows File input/output...

13 June 2018 8,748 4 View