Yudibeth Sixto-López

2 Questions 8 Answers 0 Followers

Questions related from Yudibeth Sixto-López

How to increase the number of steps in coarse grained Gromacs simulation?

We are trying to increase the nsteps in mdp file, however it is not running properly. We want to increase the step number because we had the below error, when we analyze standar error:...

10 October 2018 6,090 1 View

Does anyone know what is the maximum size that can be modeled in packmol of a micelle?

I wish to model a micelle with 1160 Å of diameter with almost 2000 molecules of a phospholipids between 70 to 110 atoms. Do you think it is advisable to use coarsed grained md simulation instead...

09 September 2018 5,437 2 View