[gmx-users] Re: Positive potential energy for TFE solvent

2011-11-14 Thread Harpreet Basra
hi, I am still stuck with same problem of obtaining positive potential energy. >>On 11/11/2011 5:07 PM, Harpreet Basra wrote: >> Hi >> >> I am trying to generate an equilibrated box of 216 TFE molecules.To >> generate the 216 TFE molecule box i performed following steps: > >A suggested workflow c

[gmx-users] Re: Positive potential energy for TFE solvent

2011-11-15 Thread Harpreet Basra
Hi Mark, Thanks for the quick reply. But i have already done what u suggested. > > On 15/11/2011 6:06 PM, Harpreet Basra wrote: > > Hi > > I am still stuck with same problem of obtaining positive potential > > energy. > > >>On 11/11/2011 5:07 PM, Harpreet Basra wrote: > > >> Hi > > >> > > >> I a

Re: [gmx-users] Re: Positive potential energy for TFE solvent

2011-11-15 Thread Mark Abraham
On 16/11/2011 1:18 AM, Harpreet Basra wrote: Hi Mark, Thanks for the quick reply. But i have already done what u suggested. On 15/11/2011 6:06 PM, Harpreet Basra wrote: > Hi > I am still stuck with same problem of obtaining positive potential > energy. > >>On 11/11/2011 5: