Laudenor Amorim

3 Questions 2 Answers 0 Followers

Questions related from Laudenor Amorim

How to build a simulation box in GROMACS with solvent only on top of a surface?

Dear friends, I would like to know how to build a simulation box in GROMACS in which I can add solvent only to the top of the surface, in order to study adsorption. In my system, the surface is...

11 November 2023 9,331 0 View

Umbrella Sampling - Tutorial - Error

Dear colleagues, I am having this problem when running the Umbrella Sampling tutorial. Can anyone give me a hand? Starts at Step 3. Thank you. WARNING 1 [file topol.top, line 54]: The GROMOS...

01 January 1970 3,564 3 View

How to build a simulation box in Gromacs with only solvent to the top the gold surface?

Dear friends, I would like to know how to build a simulation box in GROMACS in which I can add solvent only to the top of the surface, in order to study adsorption. In my system, the surface is...

01 January 1970 9,096 0 View