arashelahi

atomistic PRISM calculation, for determination of interaction parameter

18

Hi I am new user to pyPRISM and integral equation theory. thus my question may look simple, sorry about that in advance. I have the following questions. 1-I would like...

- [x] I believe this to be a bug with LigParGen - [] This is a feature request ## Issue Information I'm trying to generate opls-aa topology for cellulose chain....

Hi Online server keeps giving me 504 gateway error when submitting molecules So, I'm trying to use BOSS to generate itp files. I did not find how to use pdb...