Ganesh Reddy

2 Questions 3 Answers 0 Followers

Questions related from Ganesh Reddy

How to insert the molecules in gromacs based on surface area of polymer molecules ?

And also how to compress the system based on surface area of system such that we get new gromacs file at different surface area of polymer molecule? i heard on the fly approach can be used but i...

17 April 2024 2,393 2 View

I am trying to pull drug into lipid layer on Z axis but in smd step it says errror ? and error is as folows can someone explain it ?

Distance between pull groups 1 and 2 (2.877739 nm) is larger than 0.49 times the box size (2.272821). But my box dimension are 4.69, 4.69, 15 . Here I am pulling the drug on Z direction why does...

02 April 2023 1,116 1 View