Re: [gmx-users] asking help for simulation of protein in 8M urea

2010-05-20 Thread Tsjerk Wassenaar
Hi Caty, In addition to Luca's comments, also consider what you mean with 8M. Molarity is defined as mole per liter, but the addition of urea may have an effect on the volume, such that adding a volume x urea to a volume y water does not yield a volume x+y. Especially with such high concentrations

Re: [gmx-users] asking help for simulation of protein in 8M urea

2010-05-20 Thread Luca Mollica
On 05/20/2010 09:05 AM, caty hacker wrote: Dear all, I want to a protein simulation in 8M urea. Can anyone suggest me any introductory tutorial on that. Thank you in advance. I think a "tutorial" is useless for such a simulation. Papers are the best reference depending on what you

[gmx-users] asking help for simulation of protein in 8M urea

2010-05-20 Thread caty hacker
Dear all, I want to a protein simulation in 8M urea. Can anyone suggest me any introductory tutorial on that. Thank you in advance. -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org