5 Questions 8 Answers 0 Followers
Questions related from Umesh Panwar
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...
03 March 2018 3,620 3 View
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
05 May 2017 2,518 0 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...
08 August 2016 2,125 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...
03 March 2015 4,988 1 View
Does anyone have any idea about how to convert linear peptide into cyclic peptide using Bioinformatics tool? Thanks and Regards.
02 February 2015 3,204 5 View
