Suraj Chougula

2 Questions 4 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 7,791 2 View

Ligand Topology Issue?

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

27 March 2025 5,771 4 View