30 May 2018 2 2K Report

I want to study the matrix pencils which occur during solving optimal control theory problems.

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How to find value for Ki (inhibition constant); Kd (dissociation constant), and Km "equilibrium constant?

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Xcrysden crashes with error "(file "/usr/share/xcrysden/Tcl/xcInit.tcl" line 633)". Follow these steps to fix the same ?

My Xcrysden crashed and I was searching for the solutions. Finally, after several attempts I reached a solution of the same. Follow these steps if your xcrysden crashes with the error "(file...

11 January 2024 3,375 3 View

How to resolve error " Laue class not available" in Thermo_pw ?

Hello everyone, I am doing a calculation with QE version 7.2 and thermo pw version 1.8.2. The files running fine with the quantum espresso but giving error while running it with thermo pw....

29 November 2023 6,289 5 View

Why is my protein concentration increasing after storage at -20°C?

I have a few proteins that I produce recombinantly in E. coli cells. All of them are disordered proteins and are stored in the presence of 4mM DTT at -20°C before use. One of them also contains...

28 November 2023 2,682 2 View

What dating methods should be employed for basic metabasic volcanics as well as gabbro?

In the western Himalaya there are metabasic volcanics said to be intercalated with metasediments of supposedly proterozoic age. The metasediments are intruded lower Paleozoic granite. The granite...

01 October 2023 7,892 2 View

Can we use efficient cores of Laptop for DFT calculation ?

Hello Everyone, Iam planning to buy a new laptop and checked one laptop with i5-13500 processor which is having 12 processor but 4 performance cores and 8 efficient cores. So can I use all the...

30 September 2023 7,634 4 View

Add Missing residue?

Hi, I have added missing residue in PDB id: 5ZWJ by using Charmm-gui (PDB Reader & Manipulator) but in added PDB, I am getting all HIS protonated to HDS. One other problem I found that in last...

27 September 2023 3,718 2 View

Hi all! I am new to ORCA. Can any one help in how to setup an ORCA input file for calculate optical rotation of chiral molecule?

I am searching for equivalent keyword in ORCA for "optrot" that is used in Gaussian.

19 June 2023 9,726 2 View

We need the experimental crystal structure of 1-propanol (C3H8O) to study its solid phase. Can anyone help to find the corresponding cif file?

We want to investigate the solid phase of 1-propanol using Molecular Dynamics, and for that, we are looking for the experimental crystal structure of this molecule (1-propanol) to use as the...

08 June 2023 1,599 0 View

The median (A-B) range can be converted to Mean SD ?

SD can be calculated using range, if yes which formula max range-min range/4 0r max range-min range/6

18 May 2023 6,290 3 View

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