Daniel Madulu Shadrack

3 Questions 19 Answers 0 Followers

Questions related from Daniel Madulu Shadrack

Protein-Ligand interaction, too many LINCS warning.

I am simulating Protein-ligand interaction using gromacs and now I am getting this problem. Please held how to fix it. Fatal error:Too many LINCS warnings (1001)If you know what you are doing you...

08 August 2017 4,356 8 View

I everybody, I want to run MD of dendrimer i.e PAMAM using Gromacs, but the force fields in gromacs are not compatible with dendrimers...

Which force fields can I use to run molecular dynamics of PAMAM dendrimers in Gromacs??, I have tried different force fields in Gromacs with no success..

06 June 2017 7,745 1 View

Hi all, I want to perform MM/GBSA and MM/PBSA in Gromacs, how should I go about? which force field is better?

Calculating Protein-lingand interation using MM/GBSA and MM/PBSA

05 May 2017 7,422 8 View