Bhavya N Revanna

3 Questions 5 Answers 0 Followers

Questions related from Bhavya N Revanna

I'm getting "Fatal error: Residue 'UNK' not found in residue topology database." how to rectify?

I've a new ligand and named it as 'UNK' in pdb file. While generating the ligand topology through GROMACS by following its protein-ligand tutorial. I'm getting this fatal error: " Residue 'UNK'...

01 January 2020 9,436 10 View

In Schrodinger maestro 12.2, how to change from dummy GPU host to local host?

I'm trying to do energy minimization on the system, but I'm encountering error message: Cannot start job with dummy GPU host set. Please set valid CPU or GPU host.

12 December 2019 1,258 3 View

How to install networkx 1.11 in linux ?

I'm trying to install install networkx version 1.11 to linux having python of version 2.7

09 September 2019 6,044 4 View