[gmx-users] simple question about umbrella pulling

but I don't see how to set r0, for an umbrella potential between group0 and group1 of k1(r-r0)^2. Surely this is possible? Scott Milner William H. Joyce Professor The Pennsylvania State University Department of Chemical Engineering 120 Fenske Laboratory University Park, PA 16802 (814) 863-9355

[gmx-users] x2top hangs

a simple working example to me? Scott Milner William H. Joyce Professor The Pennsylvania State University Department of Chemical Engineering 120 Fenske Laboratory University Park, PA 16802 (814) 863-9355 smil...@engr.psu.edu ___ gmx-users mailing

[gmx-users] trouble compiling gromacs-3.3.2 on OS X 10.5.1

I'm trying to load gromacs on a new MacBook Pro, running 10.5.1 with latest developer tools installed. I get an error the first time I run ./configure, as follows: configure: error: Upgrade to binutils = 2.12.1 (or disable assembly loops). whereupon configure fails. What do I do to fix

Re: [gmx-users] trouble compiling gromacs-3.3.2 on OS X 10.5.1

I don't mean to be ungrateful, but your reply was not *quite* explicit enough to actually be any help whatsoever. -- Scott On Jan 28, 2008, at 8:30 PM, Mark Abraham wrote: Scott Milner wrote: I'm trying to load gromacs on a new MacBook Pro, running 10.5.1 with latest developer tools

Re: [gmx-users] trouble compiling gromacs-3.3.2 on OS X 10.5.1

Yes, I found this before I submitted my query. Of course things under OS X tend to be located in different places than GNU assumes. I ran the GNU install of binutils, and it did not change the behavior, perhaps because whatever gets installed isn't going to the right place where OS X