[gmx-users] Freezing secondary structure

] and [distance_restraints], but I couldn't find something like [angle_restraints]. This approach sounds quite tedious as well. What is the best way to freeze the secondary structure (a-helix in my case) during simulations? Thanks. Seunghwan Lee -- gmx-users mailing listgmx-users@gromac

[gmx-users] mailing list search

help. Seunghwan Lee ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the lis

[gmx-users] Lipid-protein tuturial by Lemkul

made the correction to ffG53a6.rtp file as suggested by Justin, but apparently I am still having a problem with -NH2 residue (#17). Is there any other corrections I need to do in order to make this work? Thanks for your help!! Seunghwan Lee

Re: [gmx-users] Lipid-protein tutorial by Lemkul

Hi Justin, Thank you for your answer. It made me to think again and I found the source of the problem (silly mistake). Thanks again! Seunghwan Lee --- On Fri, 10/16/09, Justin A. Lemkul wrote: > From: Justin A. Lemkul > Subject: Re: [gmx-users] Lipid-protein tuturial by Lemku

[gmx-users] simulation with non-zero total charge

ge? (2) How can I fix this with "-rcon" option? I don't want to change LINCS order, etc. (3) Is there any parameter that I need to be careful when I simulate systems with non-zero net charge (especially lipid system)? Thank you very much for your advices! Seunghwan Lee Un

Re: [gmx-users] simulation with non-zero total charge

ad imb.: force 18.6% during the simulation and it has pretty big load imbalance. I am wondering what is the meaning of "minimum cell size" in DD and how I can change it manually. Seunghwan Lee --- On Fri, 12/11/09, Mark Abraham wrote: > From: Mark Abraham > Subject: Re: [gmx-user