Suraj Chougula

4 Questions 8 Answers 0 Followers

Questions related from Suraj Chougula

Problem in nvt step ?

I am getting this error: Step 0: The total potential energy is 2.34679e+14, which is extremely high. The LJ and electrostatic contributions to the energy are 2.34679e+14 and -315983, respectively....

03 April 2025 7,800 2 View

Ligand Topology Issue?

Please help me to generate ligand topology for the file attached here.

27 March 2025 5,781 4 View

Issue in gromacs in generating topology files ?

I am getting this error "The residues in the chain mg301--gdp302 do not have a consistent type. the first residue has type 'ion', while residue gdp 302 is of type 'other. either there is a mistake...

03 December 2024 8,845 5 View

GDP Problem in Topology ?

I am trying to generate topology files for my protein, but the Charm force field does not support GDP present in the protein. Do you have any suggestions on how I can fix it?

14 November 2024 7,769 0 View