Ranbir Singh Saluja

3 Questions 2 Answers 0 Followers

Questions related from Ranbir Singh Saluja

Query regarding the improper NMR results and it's publication ?

I have Synthesized amino acid conjugates of a Known drug molecule. I have Synthesized four molecules out of which three molecules have leucine moiety. This is the reason why Iam getting extra...

30 April 2025 4,689 1 View

Error in solvation step in Gromacs?

While performing solvation step , gmx solvate adds 8134 water molecules. But when I saw my solv.gro file , it has added water molecules vaguely starting from the ligand coordinates. And when I run...

04 June 2024 4,140 2 View

Drastic Difference in binding energy, rdf if NPT only with restraints and avg pressure near 1 bar?

I have a fundamental doubt regarding my equilibration methodology , for all my simulations , i always run NVT first and then NPT . I run NPT untill my avg pressure is near 1 bar. None of...

01 January 1970 7,874 0 View