While running the command getting following error given below:
do_dssp -s md.tpr -f md.xtc
Fatal error:
Not enough memory. Failed to calloc -1082130432 elements of size 4 for grps[j].nm_ind
AS, I have run 100 ns simulation in desmond on protein-ligand complex. Can anyone help me out to converting the desmond trajectories into gromacs, thus i can further perform pca analysis. Thanks...
02 March 2018 3,570 3 View
NVT steps Command : gmx grompp -f NVT.mdp -c EM.gro -p topol.top -n index.ndx -o nvt.tpr Error: Fatal error:[ file strong_posre_make_ligand.itp, line 5 ]:Atom index (4579) in position_restraints...
07 August 2016 1,946 1 View
Dear All, In a peptide (from Histone 3 ), on the 9th/14th position of Lysine we have done acetylation. Now, I have to run a simulation but I don't have force field parameters for acetylated Lysine...
02 March 2015 4,933 1 View
Does anyone have any idea about how to convert linear peptide into cyclic peptide using Bioinformatics tool? Thanks and Regards.
01 February 2015 3,126 5 View
I have tried to download the 64-bit version of MGLtools however, as many times as I have downloaded and uninstall the programs, an error arises that the app needs to be updated. Thank you.
03 March 2021 5,997 2 View
Hi everyone, I am conducting research for my Master's thesis. I am using PROCESS by Johnson-Neyman to analyze my Moderator model. I test the relationship between Public Service Motivation and...
03 March 2021 2,350 2 View
I just wanted to check if I need to run a linear regression separately if I am using PROCESS MACRO to run mediation analysis. Thank you.
02 March 2021 4,359 3 View
Dear Colleagues, After running Western blot on PVDF membrane and detection using ECL, I would like to stain my PVDF with colloidal gold to be able to allign the ECL image with total proteins on...
02 March 2021 7,829 3 View
So, I have been trying to run a pACYC PCR which will be used later on for a Gibson Assembly. However the PCR is not working. I have already tried gradient PCR and changing extension time; however...
02 March 2021 1,146 2 View
The Lanthanide contraction which is the decrease in ionic radii of the elements in the lanthanide series from atomic number 57, lanthanum, to 71, lutetium, is due to poor shielding of the 4f...
01 March 2021 2,272 4 View
Hi, I am trying to figure out which test would be most appropriate to run for the following question: Is there a difference in task blood pressure between smokers and non-smokers? There are two...
01 March 2021 8,235 2 View
I'm looking to try out an off-the-shelf EEG set for some exploratory work. Curious if anyone has used the OpenBCI, and how much set-up work is required. I've heard they are more difficult to get...
01 March 2021 4,128 3 View
Dear colleagues, I have a manuscript that needs an expert in smart PLS to run the analysis, Is there anyone expert and ready to help me, please?
01 March 2021 8,212 3 View
I am working on modeling and simulation of biomecanical material behaviour, I have succeded on simulating skin using anisotropic hyperelastic material, on APDL and in our lab's finite element...
28 February 2021 552 3 View