i tried for free energy simulation with gmx_MMPBSA , i created the input file mmpbsa.in and performed in seperate conda environment( will attach the details of it too) but when i run commands i end up in these errors
Dear Researchers, Is it feasible to distinguish between alpha and alpha prime martensite in the Ti6Al4V alloy under rapid solidification in the as-cast state using XRD, in addition to...
30 July 2024 3,849 0 View
through origin software
17 July 2024 4,991 0 View
please suggest the research paper related to the instrument is used in it.
16 July 2024 8,453 1 View
Is it possible to differentiate or calculate, the amount of ferromagnetic and antiferromagnetic contribution in a canted system? (Weakly frustrated canted antiferromagnetic system)
25 June 2024 6,210 0 View
In many papers, they have given the atomic position, lattice parameters, bond length, bond angle etc. values with (). what is the value of inside the bracket? If it is error bar how to find in...
13 June 2024 7,607 2 View
As part of my thesis I'll be conducting a single-sample pre-post intervention analysis, in which my only DV is ordinal (7-point Likert scale). In my research proposal I said that I would use...
05 June 2024 3,122 2 View
Snowball metrics is used by scival.com to report some performance indicators. This metrics seems rather obscure from the mathematical standpoint. Unfortunately there is apparently (after a quick...
05 June 2024 7,463 0 View
Menurut Bapak/Ibu, apakah editor jurnal lebih memilih Systematic Literature Review 10-20 tahun daripada yang menelaah 5 tahun? In your opinion (Mr and Ms), what do you think, journal editors...
26 May 2024 140 2 View
I am preparing a case study of a social work professional organisation which is non-existent now but had a glorious past. For this, I interviewed around 20 members of the association to understand...
18 May 2024 6,656 3 View
Tree growth is an important aspect of forestry and forest ecology. Typically a growth rate is calculated as the difference between two stem diameter measurements over a given time interval: (dbh2...
15 May 2024 8,739 2 View
"PUBLISHING IN A SCOPUS JOURNAL" Researchers are now at a cross road. The critical need to publish in a Scopus or ISI, etc journal is ever vital. Journal Publication fees must be submitted....
10 August 2024 8,621 1 View
How to develop investments in renewable energy sources?
08 August 2024 5,112 3 View
Hello experts, Does anyone know any free software about retention index prediction ?
08 August 2024 7,403 2 View
Dear QE-users, In the method where full MS positive mode and PRM mode are used, we always get an incorrect auxiliary gas reading (41 instead of 25). This only happens in this method; other...
06 August 2024 4,953 0 View
I have an antibody binding generic protein and I need to compare its activity in a free and immobolized form. I understand that there are a number of methods to determine Kd value of a free...
05 August 2024 5,311 0 View
Hello guys! Do you have experience running a Oaxaca-Blinder decomposition on R applying person weights. How do you suggest doing it? I have a variable PERWT which gives more information on how...
04 August 2024 6,033 0 View
Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...
03 August 2024 3,371 3 View
I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?
02 August 2024 3,143 4 View
for eg. transition shock scale
01 August 2024 5,998 0 View
Because I have realized that the world tends more and more to do open and free science and there is a trend more and more to choose free databases, free tools and open access platforms.
01 August 2024 10,046 1 View