Kamalesh Roy

5 Questions 2 Answers 0 Followers

Questions related from Kamalesh Roy

Why LigParGen Server shows Gateway Time Out?

Trying to render prm and rtf for a ligand at LigParGen Server. Each time the webpage shows error 504, Gateway time out. Any idea?

12 July 2024 667 0 View

What is the conductivity of NaoH in ethanol, methanol and other organic solvents ?

Looking for papers on the same with detailed study, any help?

02 April 2024 6,623 0 View

Psfgen output adding a - CH2 on -C-O site? Is this normal? What patch is appropriate for this purpose?

While Trying to manipulate end terminal carboxylic group protonation state in PET polymer chain, PSFgen package in VMD adds an extra -CH2 on the deprotonated oxygen. Also the chain is broken in...

25 March 2024 523 0 View

How to open .jdf NMR file in Bruker's Topspin?

how to convert .jdf NMR file to Topspin compatible format?

24 April 2023 9,604 3 View

Psfgen package cannot recognize changed protonation state ASPP in vmd. How to change ASP to ASPP and generate PSF file?

Tool : VMD Sequence : VGQVVLGWKVSDLKSSTAVIPGYC Building coordinate file without hydrogen : mol new pep1.pdb set s [atomselect top protein] $s writepdb ubqp.pdb Building PSF : package require...

28 July 2022 4,435 3 View