I have received an error while trying to MD simulation using NAMD - FATAL ERROR : Didn't find "NATOM" in psf file solvate.psf - is there any way to rectify it?
I was wondering why most FUS protein westerns run at a higher molecular weight than the actual protein? UniProtKB - P35637 (FUS_HUMAN)
02 June 2019 5,441 4 View
Among many packages exist for MD simulation, which one is widely-used and common for polymers?
13 December 2017 2,899 3 View
I have "x'pert highscore plus" software to plot my samples' XRD patterns. To check for the reference, software cannot find the exact match. So, I need to add a reference code or pattern to the...
25 December 2013 2,081 30 View
How to calculate the RMSD values for a MD simulation using MOE?
07 August 2021 0 0 View
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
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 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
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
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