Re: [gmx-users] energy terms vs. temperature

2011-09-06 Thread Mark Abraham
On 7/09/2011 5:01 AM, Juliette N. wrote: Dear users, I have a short question about temperature dependence of enregy terms i.e bonds, angles, torsions, vdw , electorstatics. I am curious why these energies increase with T. Especially bonded terms that have no temperature dependence in the func

Re: [gmx-users] energy terms vs. temperature

2011-09-06 Thread Justin A. Lemkul
Juliette N. wrote: On 6 September 2011 15:03, Justin A. Lemkul > wrote: Juliette N. wrote: Dear users, I have a short question about temperature dependence of enregy terms i.e bonds, angles, torsions, vdw , electorstatics. I am

Re: [gmx-users] energy terms vs. temperature

2011-09-06 Thread Juliette N.
On 6 September 2011 15:03, Justin A. Lemkul wrote: > > > Juliette N. wrote: > >> Dear users, >> >> I have a short question about temperature dependence of enregy terms i.e >> bonds, angles, torsions, vdw , electorstatics. I am curious why these >> energies increase with T. Especially bonded terms

Re: [gmx-users] energy terms vs. temperature

2011-09-06 Thread Justin A. Lemkul
Juliette N. wrote: Dear users, I have a short question about temperature dependence of enregy terms i.e bonds, angles, torsions, vdw , electorstatics. I am curious why these energies increase with T. Especially bonded terms that have no temperature dependence in the functional form ( force

[gmx-users] energy terms vs. temperature

2011-09-06 Thread Juliette N.
Dear users, I have a short question about temperature dependence of enregy terms i.e bonds, angles, torsions, vdw , electorstatics. I am curious why these energies increase with T. Especially bonded terms that have no temperature dependence in the functional form ( force constants), why all bonded