Dear RG members,
I am running MD simulation in GROMACS (GPU) in cluster using qsub. I would like to know when my program will finish which I can not monitor from the GUI. Could somebody help in this regard.
Thanks in advance
Best regards
Bikash
Hi, I am wondering if synthetic human islet amyloid polypeptide (IAPP) can be prepared just like beta-amyloid using NH4OH instead of using HFIP. Concerns: 1- I am not allowed to use...
04 May 2018 3,805 1 View
Hi, I could see a peak around ~330 nm for the water sample (MilliQ). This looks strange and I am unable to find the problem. The excitation was 295 nm. We washed the cuvette throughly, but still...
08 September 2017 1,490 8 View
04 May 2017 1,923 4 View
Dear members, I am trying to express and purify a mouse-derived enzyme (rotamase A) having 7 X His-TEV cleavage site. The protein overexpression at 37C (0.8M IPTG induction for 3 hrs) shows a...
11 December 2016 6,655 3 View
03 April 2016 4,383 9 View
02 March 2016 3,432 8 View
01 February 2016 2,472 11 View
01 February 2016 7,303 5 View
31 December 2015 445 5 View
Dear RG members, I would like to know how the body control the antimicrobial peptide (AMP) production during infection in a concentration dependent pathway. It is well known that, many of the AMPs...
11 December 2015 781 2 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
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
Hello, I have a mechanism where air rises due to convective flows. In this simulation, nothing is driving the air except this. I understand that the Boussinesq approximation only works for small...
02 March 2021 4,910 3 View