4 Questions 7 Answers 0 Followers
Questions related from Rubha Shri Gurunathan
I have received error while running mmpbsa command "gmx_MMPBSA -O -i mmpbsa.in -cs gromacs.pdb -ct traj.xtc -ci index.ndx -cg 1 13 -cp gromacs.top -o FINAL_RESULTS_MMPBSA.dat -eo...
13 August 2024 9,756 0 View
What is the command line for the same? When I try to run i got following error.... gmx_MMPBSA -O -i mmpbsa.in -cs md_0_200_final.tpr -ct final_10ns.xtc -ci index.ndx -cg 1 13 14 -cp topol.top -o...
13 June 2024 3,813 1 View
Kindly suggest me
12 June 2024 496 4 View
While performing gromacs MD simulation after pdbtogmx command using charmm force-field, i have received "Atom P1 in residue NDP 193 was not found in rtp entry NDP with 75 atoms while sorting...
03 June 2024 9,688 8 View