Mustafa Alhaji Isa

3 Questions 18 Answers 0 Followers

Questions related from Mustafa Alhaji Isa

How to parameterize ligand in MD simulation using VMD-NAMD?

I want to perform MD simulation of protein-ligand complex using VMD-NAMD. When I want to create protein structure file (PSF), there is dialogue box asking me to parameterize my ligand.

15 September 2016 10,018 4 View

Problem of using command prompt window in molecular dynamic simulation?

I want to perform simulation and when I run the command prompt window with the following syntax " namd2 ubq_ws_eq.conf > ubq_ws_eq.log &" below error will appear" Charm++ fatal error:FATAL...

08 July 2016 8,693 18 View

How do I generate DOPE score using multiple template (model_mult.py) in modeller 9.16?

I want to build a model of query sequence (qseq) based on the alignment against the multiple templates using the `model_mult.py'. from modeller import *from modeller.automodel import * env =...

19 June 2016 6,885 3 View