subject:"\[gmx\-users\] pull.ppa doesn't work"

Re: [gmx-users] pull.ppa doesn't work

2009-07-25 Thread accomp lin

Problem solved, thanks a lot! accomp lin wrote: > > hi everyone, > > I;m using umbrella sampling to calculate PMF > > My system is DPPC + water + protein > In pull.ppa, I set runtype = umbrella ，reftype = com_t0， > K1 = 5000 ，Pos1 = 0.0 0.0 6.0 >

Re: [gmx-users] pull.ppa doesn't work

2009-07-23 Thread Justin A. Lemkul

accomp lin wrote: hi everyone, I;m using umbrella sampling to calculate PMF My system is DPPC + water + protein In pull.ppa, I set runtype = umbrella ，reftype = com_t0， K1 = 5000 ，Pos1 = 0.0 0.0 6.0 However this came out when I finally type mdrun :

[gmx-users] pull.ppa doesn't work

2009-07-22 Thread accomp lin

hi everyone, I;m using umbrella sampling to calculate PMF My system is DPPC + water + protein In pull.ppa, I set runtype = umbrella ，reftype = com_t0， K1 = 5000 ，Pos1 = 0.0 0.0 6.0 However this came out when I finally type mdrun : Reading parameter file pull.ppa ' for variable verb