Re: [gmx-users] Question about x2top

2008-05-08 Thread Justin A. Lemkul
Quoting Jussi Lehtola <[EMAIL PROTECTED]>: > Hi, > > > > first of all, thanks to Mark and David for helping me with building > potentials. > > Is there any way to speed up x2top? When I have generated a system of > thousands of molecules using genconf and make a topology for it using > x2top, the

[gmx-users] Question about x2top

2008-05-08 Thread Jussi Lehtola
Hi, first of all, thanks to Mark and David for helping me with building potentials. Is there any way to speed up x2top? When I have generated a system of thousands of molecules using genconf and make a topology for it using x2top, the process can take hours. Is it OK just to copy the single-mol