Dear all, Can any one help e regarding 1.) I want to find the binding energy of ligand with the protein , and 2.) Hydrogen Bond energy of the protein ligand interactions (for H-bond ).. and 3 ) if possible H bond distances along the time scale(say 10ns). Is there any way 4 ) to measure the contribution of hydrophobic / philic interactions of the protein active site with ligands binding energy.. 5) to calculate the distance between the residues(let say Tyr and Arg) in my protein. (Actually I want to check a key interaction between them)
Thanks in advance. Ravi Raja Tejasvi -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
