Re: [gmx-users] freeze water

2006-05-01 Thread Anthony Cruz
What procedure will be better? Freeze or position restrain? Anthony On Monday 01 May 2006 7:17 am, Anthony Cruz wrote: On Friday 28 April 2006 12:02 pm, David van der Spoel wrote: Anthony Cruz wrote: Hi: I want to make a simulation of a small pepetide in a box of water but I want to

Re: [gmx-users] freeze water

2006-04-28 Thread David van der Spoel
Anthony Cruz wrote: Hi: I want to make a simulation of a small pepetide in a box of water but I want to freeze or restrain the movement of all water molecules that have a distance grater that 3 A from the protein surface. Right know the water that are within 3 A of the protein, have a