Sunil Kumar

3 Questions 5 Answers 0 Followers

Questions related from Sunil Kumar

How to add position restrain for ions?

I am working on nucleic acid (NA). I have to add K(+) ions to study its behaviour. I want to keep the coordinates of NA molecule and K(+) fixed & allow water molecules to equilibrate. This...

04 April 2017 1,057 2 View

How to add Co(2+) in amber99ff to use in GROMACS 5.1.2?

I want to simulated a RNA, which has Co (2+). How to get the parameters for Cobalt & where to add them ?

03 March 2017 6,333 0 View

How to resolve the mismatch in no. of coordinates in topol.top & solvated_ions.gro files in gromacs?

I have got the following error after executing the grommp command before energy minimization. Fatal error:number of coordinates in coordinate file (ribo_solvated_ions.gro, 572158) does not match...

01 January 2017 1,910 8 View