Lalehan Özalp

2 Questions 5 Answers 0 Followers

Questions related from Lalehan Özalp

Can I run MM/PBSA on multiple cores?

Hello everyone, I'm running MMPBSA by using the g_mmpbsa tool for GROMACS. However, it runs extremely slow even though it's claimed that by default it uses all the processors:...

01 January 2020 2,566 1 View

GROMACS - why cannot load the xtc file (without PBC) to VMD?

Dear all, I have a question regarding loading .xtc file (with no periodic boundary conditions) to VMD which I generated before. To this end, I had used the command: trjconv -f md_0_10.xtc -s...

01 January 2020 1,065 4 View