Re: [gmx-users] Possible bug in g_hbond with implicit solvent

2011-08-19 Thread Mark Abraham
On 20/08/2011 1:45 AM, Justin A. Lemkul wrote: Mark Abraham wrote: On 20/08/2011 1:26 AM, Justin A. Lemkul wrote: Hi All, I wanted to solicit some feedback on what I think may be a bug related to periodicity handling and/or implicit solvent simulations. I ran some simulations of a few mo

Re: [gmx-users] Possible bug in g_hbond with implicit solvent

2011-08-19 Thread Justin A. Lemkul
Mark Abraham wrote: On 20/08/2011 1:26 AM, Justin A. Lemkul wrote: Hi All, I wanted to solicit some feedback on what I think may be a bug related to periodicity handling and/or implicit solvent simulations. I ran some simulations of a few model peptides (some helices, hairpins, etc) and

Re: [gmx-users] Possible bug in g_hbond with implicit solvent

2011-08-19 Thread Mark Abraham
On 20/08/2011 1:26 AM, Justin A. Lemkul wrote: Hi All, I wanted to solicit some feedback on what I think may be a bug related to periodicity handling and/or implicit solvent simulations. I ran some simulations of a few model peptides (some helices, hairpins, etc) and I got what I believed t

[gmx-users] Possible bug in g_hbond with implicit solvent

2011-08-19 Thread Justin A. Lemkul
Hi All, I wanted to solicit some feedback on what I think may be a bug related to periodicity handling and/or implicit solvent simulations. I ran some simulations of a few model peptides (some helices, hairpins, etc) and I got what I believed to be very inflated results for backbone hydrogen