Hi everyone!!

During a MD simulation performed by the Discover Module of MS the "status" file of the sim. shows the energy changes (Epot, Elec, VDW...) and also something defined as"Hydrogen Bond" contribution...

About this term (H-bond):

1- How can I operate on this term?? for every kind of sim that I have perfomed it doesn't quantifiyng anything...Probably I'm wronging something but I don't understand what exactly...can someone help me??

2- can be modified the cutoff used for the quantification??

every suggestions will be appreciated

G.