Re: [gmx-users] Re: Aspartate at high pH

2013-02-16 Thread Mark Abraham
http://www.gromacs.org/Documentation/How-tos/Constant_pH_Simulation On Wed, Feb 13, 2013 at 2:12 PM, Sathish Kumar sathishk...@gmail.comwrote: Hai, I need to do simulation of protein at pH 12.I am unable to do that can you please tell me how to do and how to set up pH conditions.

[gmx-users] Re: Aspartate at high pH

2013-02-13 Thread Valentina
Thank you Tsjerk! -- View this message in context: http://gromacs.5086.n6.nabble.com/Aspartate-at-high-pH-tp5005500p5005502.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing listgmx-users@gromacs.org

Re: [gmx-users] Re: Aspartate at high pH

2013-02-13 Thread Sathish Kumar
Hai, I need to do simulation of protein at pH 12.I am unable to do that can you please tell me how to do and how to set up pH conditions. Thank You. On Wed, Feb 13, 2013 at 6:08 PM, Valentina valentina.erast...@durham.ac.ukwrote: Thank you Tsjerk! --