Re: [gmx-users] different springs - WHAM

2013-02-14 Thread Erik Marklund
On Feb 14, 2013, at 2:01 PM, Justin Lemkul wrote: On 2/13/13 5:23 PM, Steven Neumann wrote: On Tue, Feb 12, 2013 at 5:01 PM, Justin Lemkul wrote: On 2/12/13 9:57 AM, Steven Neumann wrote: On Tue, Feb 12, 2013 at 2:53 PM, Justin Lemkul wrote: On 2/12/13 9:40 AM, Steven Neumann w

Re: [gmx-users] different springs - WHAM

2013-02-14 Thread Justin Lemkul
On 2/13/13 5:23 PM, Steven Neumann wrote: On Tue, Feb 12, 2013 at 5:01 PM, Justin Lemkul wrote: On 2/12/13 9:57 AM, Steven Neumann wrote: On Tue, Feb 12, 2013 at 2:53 PM, Justin Lemkul wrote: On 2/12/13 9:40 AM, Steven Neumann wrote: Dear Gmx Users, I know it is possible to combi

Re: [gmx-users] different springs - WHAM

2013-02-13 Thread Steven Neumann
On Tue, Feb 12, 2013 at 5:01 PM, Justin Lemkul wrote: > > > On 2/12/13 9:57 AM, Steven Neumann wrote: >> >> On Tue, Feb 12, 2013 at 2:53 PM, Justin Lemkul wrote: >>> >>> >>> >>> On 2/12/13 9:40 AM, Steven Neumann wrote: Dear Gmx Users, I know it is possible to combine win

Re: [gmx-users] different springs - WHAM

2013-02-12 Thread Justin Lemkul
On 2/12/13 9:57 AM, Steven Neumann wrote: On Tue, Feb 12, 2013 at 2:53 PM, Justin Lemkul wrote: On 2/12/13 9:40 AM, Steven Neumann wrote: Dear Gmx Users, I know it is possible to combine windows with different spring constants into the one PMF curve using g_wham. Do I have to somehow te

Re: [gmx-users] different springs - WHAM

2013-02-12 Thread Steven Neumann
On Tue, Feb 12, 2013 at 2:53 PM, Justin Lemkul wrote: > > > On 2/12/13 9:40 AM, Steven Neumann wrote: >> >> Dear Gmx Users, >> >> I know it is possible to combine windows with different spring >> constants into the one PMF curve using g_wham. >> >> Do I have to somehow tell g_wham that one or two

Re: [gmx-users] different springs - WHAM

2013-02-12 Thread Justin Lemkul
On 2/12/13 9:40 AM, Steven Neumann wrote: Dear Gmx Users, I know it is possible to combine windows with different spring constants into the one PMF curve using g_wham. Do I have to somehow tell g_wham that one or two windows have different spring constants? No, they are read from the .tpr