Re: [gmx-users] 10-4-3 implicit wall potential

2010-01-15 Thread Baofu Qiao
think), the cut-off for the wall table is the > length > of the table you specify. > > Berk > > Date: Fri, 15 Jan 2010 11:02:40 +0100 > From: qia...@gmail.com > To: gmx-users@gromacs.org > Subject: Re: [gmx-users] 10-4-3 implicit wall potential > > > > > &

RE: [gmx-users] 10-4-3 implicit wall potential

2010-01-15 Thread Berk Hess
To: gmx-users@gromacs.org Subject: Re: [gmx-users] 10-4-3 implicit wall potential Dear prof. Berk, Since it is the first time I use the tabulated potential, I have lots of questions about it. Could you help me out? Thanks a lot! I make the test in the system with only some waters

Re: [gmx-users] 10-4-3 implicit wall potential

2010-01-15 Thread Baofu Qiao
the code. Berk Date: Tue, 5 Jan 2010 14:13:30 +0100 From: qia...@gmail.com To: gmx-users@gromacs.org Subject: [gmx-users] 10-4-3 implicit wall potential HI all, Does anyone have experience to implement the 10-4-3 implicit wall potential? If I want to use it, which files do I need to change

RE: [gmx-users] 10-4-3 implicit wall potential

2010-01-05 Thread Berk Hess
Hi, Why not use the tabulated wall potential? That does not require are changes to the code. Berk > Date: Tue, 5 Jan 2010 14:13:30 +0100 > From: qia...@gmail.com > To: gmx-users@gromacs.org > Subject: [gmx-users] 10-4-3 implicit wall potential > > HI all, > > Does a

[gmx-users] 10-4-3 implicit wall potential

2010-01-05 Thread Baofu Qiao
HI all, Does anyone have experience to implement the 10-4-3 implicit wall potential? If I want to use it, which files do I need to change, except wall.c? Can anyone give some suggestions? Thanks a lot! best wishes, Baofu Qiao -- gmx-users mailing listgmx-users@gromacs.org http://lists.grom