Usman Tariq

4 Questions 2 Answers 0 Followers

Questions related from Usman Tariq

How can we modify a force field to use it in Gromacs?

I am try to convert the .pdb file of hydroxyapatite into .gro and ormat using the command pdb2gmx. I have tried all possible force field but all are giving the same error i.e. "Fatal error:...

10 October 2015 3,827 4 View

Can we costruct Hydroxyapatite surface in Gromacs or any other Molecular Dynamics Simulations software?

I am interested in constructing the Hydroxyapatite surface. Then by cutting the surface at different angles/Planes i have check the adsorption. Is is possible to do in gromacs or I should use some...

05 May 2015 2,504 3 View

How can we construct a super cell of any compound from a single cell in Gromacs?

I want to construct a super cell of HA from a single molecule coordinate. How it can be done in Gromacs? Or is there any other software in which we can make it and then use in gromacs?

05 May 2015 6,888 3 View

How can I get the PDB file for hydroxyapatite structure?

Can anyone tell me that how can I make hydroxyapatite structure in GROMACS-5.0? 4?

04 April 2015 3,769 3 View