Fatal error:
Residue 728 named ALA of a molecule in the input file was mapped
to an entry in the topology database, but the atom CA used in
that entry is not found in the input file. Perhaps your atom
and/or residue naming needs to be fixed.
The naming for the calcium ion in the file is supposed to be CAL, not CA.
How to conjugate two acids with amine linker?
18 February 2021 4,083 2 View
critical range for Mn in soils is 2.5-4.5 ppm for all plants as an average, but what is the exact amount of DTPA extractable Mn in soil for wheat crop
04 February 2021 4,008 4 View
If condensation reaction happened between carboxylic acid and amine and amide is formed. The solvent for this reaction is toluene. After completion of reaction, how to collect product? It should...
03 February 2021 9,796 3 View
In a trial, I am trying to calculate NICS (0 and 1) values for benzene ring using gaussian09. I have placed the ghost atoms at the center, 1A, and 2A above the rings. On using the method/basis...
19 January 2021 3,188 3 View
15 November 2020 8,675 1 View
Hi, I need some reference of Journals which have monthly publication, in the filed of customer care/ luxury segment /consumer insights /CRM 1) Scopus index 2) UGC approved journal - India...
22 October 2020 7,769 3 View
plant extract stock is 10 mg/mL from which I pipetted 20, 40, 60, 80, 100, 200 uL and made up to 3 mL using methanol then i added 1 ml of 0.004% dpph solution (dissolved in methanol) incubated in...
02 September 2020 1,218 2 View
Hi, I have a phase shifter design that produces phase shift with applied voltage, which follows a function that could be very closely approximated by a second order polynomial. However, the...
11 July 2020 8,967 2 View
At what level, one should accept heterogeneity in a meta-analysis. What are possible calculation/test, if we get heterogeneity.
01 June 2020 9,396 6 View
It dissolved in 60-65% ethanol but after few hours if storage at 4 degree Celsius it is forming precipitation
19 January 2020 5,092 9 View
I would like to create a small guide containing the meanings of the names .. Thanks to everyone who cooperates with me in achieving it.
03 March 2021 5,266 4 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
I have prepared a manuscript in IEEE Latex template, but for some purpose, I need to prepare a word file as well (detailed format is not required). Compared to two column .tex file, one column...
02 March 2021 1,830 3 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
Hello, I am working on a soil project and I found a primary research article that tests how the modification of agricultural soil can cause global warming, using a thermal collector, however I...
02 March 2021 7,161 3 View
I made a vertical section plot with WOA .nc file on ODV, and now I want to plot my stations (csv. file) in it. Does anyone know how to import my points to the section? They are two different...
01 March 2021 3,610 1 View
01 March 2021 1,290 2 View
Incompletely cross-linked pdms are difficult to remove.
01 March 2021 798 3 View
Anyone know the amount of protein before enzymatic digestion for phosphopeptides enrichment of serume sample in Ti-IMAC? Has anyone ever use Ti-IMAC(the material is from Chinese company named...
28 February 2021 7,310 3 View
I've used the "export data" option in Vesta software to convert my unit cell into a cif file however when I use that cif in atomsk it shows error such as "can't read the position of atom 0". If I...
28 February 2021 4,966 3 View