Re: [gmx-users] hydration layers around protein

2012-05-29 Thread Andrea Coletta
etc) hydration layers around a protein. I am curious to know if there is any way to obtain/guess the thickness of this layer. How does one defines the thickness ? Thanks, Bala -- C. Balasubramanian -- *** Andrea Coletta

[gmx-users] gromacs+MOPAC QMMM error

2010-10-21 Thread Andrea Coletta
ERSION 4.0.7 Source code file: qmmm.c, line: 191 Fatal error: Ab-initio calculation only supported with Gamess or Gaussian. ------- *** What can be the solution?! Thank you Andrea Coletta -- gmx-users mailing listgmx-users@gromacs.org http://lists.g