How to prepare .lib and .frcmod parameter files for ligands in AMBER forcefield?

More Yahyea Baktiar Laskar's questions See All

What HPLC Marker(s) should be used to detect anthocyanins in a sample?

What HPLC Marker(s) or standard is used to detect and quantify anthocyanins such as Delphinidin, Cyanidin in a given sample of plant extract?

23 February 2021 1,832 4 View

Can we consider a molecule as a "drug lead" if it has a positive charge in its structure?

Can we consider a positively charged molecule as a drug lead while designing a drug using computational tools?

07 September 2020 9,228 3 View

Will anybody give his account or narration with respect to problems on application of sensors in industry?

19 November 2019 3,612 3 View

What are the different ways to develop breast cancer in Swiss albino mice?

We are using 7,12-dimethylbenz[a] anthracene (DMBA) and Croton oil combination to induce breast cancer in Swiss albino mice. Is there any other method to do so effectively?

10 January 2019 1,854 3 View

What should be the parameters or tests needed to perform to establish the anticancer effects of a drug against DMBA induced breast cancer in mice?

I'm working on DMBA induced breast cancer in mice. What should be the histological, molecular or some other tests needs to perform to establish the anticancer and apoptotic activity of the natural...

19 September 2018 4,331 2 View

How I can model construction joint of RCC retaining wall with multiple casting stages in ANSYS APDL?

RCC retaining wall of height 5-6 m require multiple casting stages with a construction joint between two stage of casting. The age of concrete between two stage casting is different but they share...

22 June 2016 5,532 1 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

How to analyze a particular region of my simulation box in GROMACS?

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

What kind of fluid could I use for a pitfall trap that also does not invalidate molecular testing?

Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...

03 March 2021 5,978 5 View

How to get onecolumn document from standard IEEE ACCESS LateX template?

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

Arena simulation - how do i model the following model in ARENA (see description) (new to ARENA)?

Hello, I'm fairly new to ARENA and I have the following problem: I have two queues in which, in each queue, a different order type arrives (both having an arrival rate of exponential 10). Order...

02 March 2021 2,431 3 View