Nicolas Tardiota

5 Questions 7 Answers 0 Followers

Questions related from Nicolas Tardiota

How do I manually form new bonds between residues using molecular dynamics?

I am aware of the force field specific to bond formation that is compatible with LAMMPS however, the system I am simulating alone is computationally taxing already and adding LAMMPS to my...

10 January 2019 8,397 2 View

How do I find the appropriate pulling direction on a polymer system which is in a disordered arrangement ?

I am wanting to do a sMD simulation on polymer system in a disordered arrangement using AMBER, what direction would be best to apply the constant velocity? There are more than one polymer type...

12 December 2018 989 0 View

How do I find the appropriate pulling direction on a polymer system which is in a disordered arrangement ?

I am wanting to do a sMD simulation on polymer system in a disordered arrangement using AMBER, what direction would be best to apply the constant velocity? There are more than one polymer type...

03 December 2018 842 0 View

How many waters do I need to make a 10% w/v protein based hydrogel, in silico?

I am constructing a protein based hydrogel, using collagen like peptides. I would like to know how many waters and proteins are needed to have the desired system concentration of 10% w/v in silico...

15 October 2018 411 3 View

How many waters do I need to make a 10% w/v protein based hydrogel, in silico?

I am constructing a protein based hydrogel, using collagen like peptides. I would like to know how many waters and proteins are needed to have the desired system concentration of 10% w/v in silico...

10 October 2018 935 3 View