Priyanka Ghosh

3 Questions 3 Answers 0 Followers

Questions related from Priyanka Ghosh

How can we differentiate between interstitial position and vacancy position in a crystal lattice?

In Cuprous Oxide Cu2O(111) lattice when oxygen atoms from upper three surfaces are removed there two types of sites are generated- vacancy and interstitial site. How can I identify which one is...

15 April 2024 7,048 1 View

How to remove an error in Methanol-water simulation in gmx mdrun step?

I ran the command gmx mdrun -v -deffnm npt_500 -rdd 1 in equilibration step. Then this error came called: Fatal error: There is no domain decomposition for 24 ranks that is compatible with...

05 August 2022 9,344 2 View

How can I create a .gro file for any molecule in GROMACS?

I wanted to perform simulation of methanol by including oplsaa forcefield and methanol.itp file. But when I run gmx solvate there is an error called " methanol.gro file not found in current...

22 July 2022 6,093 0 View