Re: [gmx-users] Force constant - units

2012-07-04 Thread Steven Neumann
1 pN/A = 10^-23 kJ/nm2 So 1pN/A = 6,02214129 kJ/mol nm2 Thank you All, Steven On Tue, Jul 3, 2012 at 6:20 PM, Thomas Schlesier wrote: > You have 1mol of your system. > > conversition factor for > kJ/(mol*nm) -> pN is approx 1.661 > > > Am 29.06.2012 10:33, schrieb gmx-users-requ...@gromac

[gmx-users] Force constant - units

2012-07-03 Thread Thomas Schlesier
You have 1mol of your system. conversition factor for kJ/(mol*nm) -> pN is approx 1.661 Am 29.06.2012 10:33, schrieb gmx-users-requ...@gromacs.org: Dear Gmx Users, How to recalculate the force constant from the harmonic potential: 1 [pN/A] into [kJ/mol nm2] ? Where is the [mol] here? T

Re: [gmx-users] Force constant - units

2012-06-29 Thread Oliver Stueker
Hi Steven, How much is 1 [pN/A] in [kJ/nm2] (without the mol)? And why would anyone want to use force-constants in the 10^-23 ? So why not define a force-constant for 1 mol of bonds instead of a sole bond? I think you can see where I'm going. Oliver On Fri, Jun 29, 2012 at 2:32 AM, Steven Neu

[gmx-users] Force constant - units

2012-06-29 Thread Steven Neumann
Dear Gmx Users, How to recalculate the force constant from the harmonic potential: 1 [pN/A] into [kJ/mol nm2] ? Where is the [mol] here? Thanks, Steven -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed