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http://www.ccdc.cam.ac.uk/Lists/DocumentationList/hermes.pdf
How I use the installed version of Gromacs 2018 from my home directory in CDAC-BRAF server? Please help me out..
08 September 2018 4,068 1 View
I'm using DSSP 2.0.4. command I used: dssp.exe -i 6NUL.pdb -o 6NUL.dssp what it is the next command to get the image file? Please give me suggestion..
07 August 2018 10,177 0 View
Hydrogen bond analysis
06 July 2018 6,521 2 View
gromacs
04 May 2018 2,093 0 View
I have taken The Bioinformatics Resources & Applications Facility (BRAF) at C-DAC. But donot know how to use it for MD simulation of protein-ligand complex using Gromacs program. Could...
04 May 2018 417 6 View
How can I transfer my files from my university server to BRAf server to perform MD simulation and how can I use environment module ??
03 April 2018 8,871 1 View
Program gmx mdrun, VERSION 5.1.2 Source code file: /build/gromacs-z6bPBg/gromacs-5.1.2/src/gromacs/mdlib/constr.cpp, line: 555 Fatal error: step 12: Water molecule starting at atom 61920 can not...
03 April 2018 4,146 0 View
I am follow this tutorial http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/complex/index.html In my case, protein with ligand simulated for 3ns. But after simulation the...
10 November 2017 6,403 6 View
what is the command for it???
07 August 2017 7,184 1 View
There is zinc in a catalytic site. So, I merge Protein_Zn_Ligand by using command: gmx make_ndx -f em.gro -o index.ndx > 1
07 August 2017 7,193 2 View
Approximate concentrations are require in compared with the WHO permissible limts
11 August 2024 2,723 1 View
I am developing a predictive model for a water supply network that involves 20 influencing points. However, I only have historical data for 10 out of these 20 points. I would like to know how to...
10 August 2024 4,005 2 View
How do interactions between the biosphere, the carbon cycle, and the water cycle impact global warming and interaction between the atmosphere and the hydrosphere?
09 August 2024 3,291 2 View
One can try to generalize the Vandermonde determinant in the following direction: Let $A$ be any symmetric $n$-order square matrix. Consider its powers' diagonal elements $(A^k)_{ii}$ and...
08 August 2024 6,690 1 View
I have protein-membrane simulations (PDB, PSF, DCD) and have noticed that water molecules near the protein are not visible in the simulations. How can I fix this issue? Is there a way to place the...
04 August 2024 1,200 2 View
Why is nonpoint source pollution potentially more harmful and difference between point and nonpoint sources of water pollution?
01 August 2024 1,180 2 View
How do living organisms play a role in the water cycle and why is nonpoint source pollution potentially more harmful than point source pollution?
01 August 2024 7,061 2 View
Hi, I'm curious to know if data on chemical compounds from PubChem, such as water solubility properties, can be used to train a machine learning model for commercial purposes. Will this infringe...
30 July 2024 8,707 1 View
Please note it
29 July 2024 4,920 3 View
https://www.cleanteqwater.com/resources/case-studies/gold-mine-australia/
29 July 2024 5,161 1 View