Massimiliano Bonomi

Hi! I will check this shortly. Max Sent from my iPhone > On 21 May 2021, at 22:34, Isaiah Lemmon ***@***.***> wrote: > >  > Hi, I just wanted...

I did not have time to check - I am currently busy until next week > On Nov 18, 2021, at 14:58, Carlo Camilloni ***@***.***> wrote: > > > @maxbonomi...

versions from late 2017, at least - this is what the m.css developer says > On Aug 2, 2019, at 13:43, Carlo Camilloni wrote: > > Do we know the...

Absolutely yes! We were kind of lazy ;-) Do you think it is hard to do? Sent from my Nexus. Please excuse typos and brevity. On Aug 29, 2017 3:41...

Will give a look this week and try to do it! Sent from my Nexus. Please excuse typos and brevity. On Aug 29, 2017 15:51, "Giovanni" wrote: > I don't...

Ok! Sent from my Nexus. Please excuse typos and brevity. On Aug 29, 2017 16:25, "Giovanni" wrote: Let me know if you need help. In case you can also take...

Hi, I have to admit PBMETAD might not have been thoroughly tested with standard metadynamics, as it was conceived to be used mostly in combination with well-tempered metadynamics. Could you...

> On Jun 19, 2017, at 15:30, Gareth Tribello wrote: > > Hello @GiovanniBussi . I don't know how efficient it is. The link cells are used at least. I...

Thanks! I will give it a look, but I will include also a more standard definition as Toni suggested Max > On Jun 19, 2017, at 15:41, Gareth Tribello wrote:...

Maybe a continuous version of this criterion? http://mdtraj.org/1.6.2/api/generated/mdtraj.wernet_nilsson.html This has the advantage of requiring only one threshold with respect to other angle/distance combinations. based on (1, 2) Wernet, Ph., L.G.M....