Vikas Yadav

3 Questions 1 Answers 0 Followers

Questions related from Vikas Yadav

Assertion failed error in gromacs during protein ligand complex tutorial?

I am trying to perform simulation of my protein-ligand complex system following Gromacs Protein-Ligand complex tutorial , so during the NVT equilibration using the command " gmx grompp -f nvt.mdp...

15 September 2023 9,358 2 View

How to determine the solvation box size and volume after performing production run in GROMACS?

Solvation Box

09 August 2023 3,671 0 View

How to correct the number of coordinates in coordinate file if it does not match the topology in Gromacs?

I ran gromacs with command: grompp -f ions.mdp -c protein a_solv.gro -p topol.top -o ions.tpr. and yielded a Fatal error: number of coordinates in coordinate file (solv.gro, 57741)...

16 March 2023 7,048 1 View