Tag: generate topology

Generating topology of molecule for AMBER forcefield for GROMACS.

In this article, we will generate the topology of a small molecule…

Dr. Muniba Faiza Dr. Muniba Faiza

Tutorial: MD Simulation of small organic molecules using GROMACS

GROMACS offers a vast range of functions when it comes to molecular…

Dr. Muniba Faiza Dr. Muniba Faiza