Kithma Sajini

2 Questions 3 Answers 0 Followers

Questions related from Kithma Sajini

Fatal error: Syntax error - File tip4pew.itp, line 5 Last line read: '[ moleculetype ]' Invalid order for directive moleculetype?

Hello all, I want to run a Molecular dynamics simulation by using Gromacs and OPLS AA force field. I'm getting the above error when I tried to run the energy minimization step. Now I don't...

21 June 2023 1,178 3 View

How to calculate the RMSD value of a multiple regions using VMD?

Hello, I have ran MD simulation using NAMD and CHARMM36 forcefield and want to calculate RMSD values of multiple residues.(EX: RESID1 to52,133-193,281 to 296)How can I calculate this using VMD? I...

18 March 2022 5,689 4 View