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Questions related from Tonima Nandy
Hi guys, I am doing NBO analysis of my system of interest and I m taking the highest value of E(2) from output file which supposed to give the strongest stabilization but I have few queries in...
10 October 2019 425 1 View
Hello I want to simulate Indole which is my system of interest in different alcoholic medium of different pH.I want to use one Indole molecule in presence of 4000 solvent molecules to maintain my...
03 March 2019 1,064 3 View
Hi Can anyone tell me how to calculate extent of uncertainty in lifetime associated in the excited state lifetime(fluorescence decay) evaluation? Thanks in advance
03 March 2019 3,465 1 View
Hi, I have calculated dihedral of my amino acid residue by' gmx angle -f traj_comp.xtc -n ANG.ndx -od ang2.xvg -type dihedral' but it gives intensity vs dihedral plot. I want dihedral vs time...
06 June 2018 3,663 0 View
Hi, I am a novice in MD simulation. I want to calculate solvation time correlation function Cs(t) by MD simulation but I don't know the procedure.Can anybody help me ? Thanks in advance
02 February 2018 3,515 5 View
I have measured fluoresence spectra of 4-fluoroindole and 5-fluoroindole in alcoholic medium at room temperature. The fluorescence intensity of 4-fluoroindole is reduced ~100 times than that of...
02 February 2018 9,916 6 View
in 5 ns final mdrun in MD simulation after 1.9 ns system exits & error coming like bond length not finite. I have reduced the dt from 2 fs to 1 fs in md.mdp file and 500 ps of NVT NPT...
11 November 2017 4,807 4 View
I have observed some dual peak in emission maxima of tyrosine in some polar solvent. I eagerly want to know what is the reason behind this.
07 July 2017 4,394 2 View
