Miroslav Suruzhon

#BRIDGE: An Open Platform for Reproducible High-Throughput Free Energy #Simulations pubs.acs.org/doi/10.1021/ac… @ns_tharindu @msuruzhon #current_issue #Application_Notes

@eagleragh @JCIM_ACS @ns_tharindu You can also find the documentation at protocaller.readthedocs.io

@JCIM_ACS @msuruzhon @ns_tharindu it's very promising tool, i wish if there are video tutorials teach us how to install it and use it.

#ProtoCaller: Robust Automation of #Binding Free Energy Calculations pubs.acs.org/doi/10.1021/ac… @msuruzhon @ns_tharindu #Current_issue #Application_note

@macinchem @ns_tharindu @eagleragh @JCIM_ACS It has been tested with various versions of GROMACS 2018 but I haven't tested it with any more recent versions. There shouldn't be any issues but if there are, you can submit an issue on GitHub and I will look into it 🙂

@ns_tharindu @eagleragh @JCIM_ACS @msuruzhon This looks very interesting, I notice you use GROMACS 2018.4, have you tested with later versions?

ProtoCaller: Robust Automation of Binding Free Energy Calculations pubs.acs.org/doi/10.1021/ac… Congratulations @msuruzhon 👏🎉!