ERROR: initializing X.pdb (input model) contains no non-bonded atoms
I have functionalized MWCNT via both acidic and noncovalent rout, For acidic treatment I have used H2SO4:HNO3 (3:1) while ultrasonication at 55 C, and in non-covalent I used Triton x100, but the...
27 January 2021 4,497 3 View
I need a quantitative criterion, something other than structural and visual qualitative features of melting in the molecular dynamics simulations.
26 January 2021 9,096 5 View
I was wondering if anyone has deployed Athena IE in surrogate modeling or metamodels for LCA. There are many research involving data-based models for predicting energy consumption, but I haven't...
23 January 2021 2,267 1 View
Hi everyone, I wanna know about creating the Graphene model in CST. In: Macros -> Materials -> Create Graphene Material for Optical Applications. What is the exact formula that is used in this...
25 December 2020 1,938 4 View
Hello everybody I am going to extract MCPD in oil ,but I havent pressurized liquid extraction. How can I extract MCPD in oil and determination with GC-MS?
20 December 2020 7,389 2 View
Hello I'm working on SAR Images Co-registration.I want to divide my image into two looks with the spectral diversity method. But I did not find its complete formulas in any article. Does anyone...
13 December 2020 3,270 4 View
I am looking for opportunities to expand my research. Please let me know if you have any information. Just a note, I am available for collaboration on papers and projects.
19 October 2020 5,887 1 View
Hi everyone need your help.thank you
22 September 2020 8,704 4 View
How can i increase the pH of sea water to 12? Because when i adding NaOH to seawater the pH does not go above 10 and begins to precipitate.
12 September 2020 564 9 View
I am a beginner to DSSAT model and feeling deeply happy with DSSAT model. Most DSSAT model users begin to entitle their journal articles, book's chapter titles, proceedings etc. using the phrase...
07 September 2020 3,912 7 View
Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...
03 March 2021 9,989 2 View
Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...
02 March 2021 4,569 4 View
(This statement is from wikipedia, BTW). What is so special about metallic bond that is limiting high-P low-T state of a matter (as long as individual atoms exist, not white dwarf of neutron star...
02 March 2021 3,309 2 View
I want to do a parameter study of a aixsymmetric cylinder in Abaqus. I want to create several jobs where I get the stresses for 3 different points in my model. These points are defined. I wrote a...
01 March 2021 10,078 1 View
How do I do energy minimization in lammps with NVT ensemble ? I am using the following command and it does not seem to work. It stops at extremely high energy and gives me the error zero search...
01 March 2021 2,294 3 View
Hi there! I regularly receive suggestion about papers and authors that are totally out of my area. Does anybody know how I can fix this? Thank you!
01 March 2021 9,574 4 View
Which is suitable for use with Python? MySQL or SQL Server? What is your suggestion?
01 March 2021 3,422 3 View
Please, if Gaussian Parameter optimization is possible in this code structure
28 February 2021 278 3 View
I wanted to add an extra parameter to the existing Johnson cook equation in the ABAQUS simulation. How to add those extra parameters. Ref: A modified Johnson-Cook material model with strain...
28 February 2021 4,841 3 View
System Description Cuda 11.2 GeForce GTX 1080ti tensorflow version 2.4.1 keras version 2.2.0 python version 3.8 I was getting the below error when I try to run my code on the...
25 February 2021 6,673 2 View
