Re: Res: Res: [gmx-users] Topology for nBuOH

2011-07-13 Thread Justin A. Lemkul
ystem ] ; Name BuOH in water [ molecules ] ; Compound#mols BuOH 343 SOL185 *De:* Justin A. Lemkul *Para:* Discussion list for GROMACS users *Enviadas:* Quarta-feira, 13 de Julh

Re: Res: [gmx-users] Topology for nBuOH

2011-07-13 Thread Justin A. Lemkul
Juliana Angeiras wrote: Hi, really the problem was with the order, but now i have another problem (below). I have already read the chapter 5, but i didn't fix my problem. I would like to use an archive .itp for the butanol, although i use the tip3p for water in the system (mixture water-bu

Res: [gmx-users] Topology for nBuOH

2011-07-13 Thread Juliana Angeiras
Hi, really the problem was with the order, but now i have another problem (below). I have already read the chapter 5, but i didn't fix my problem. I would like to use an archive .itp for the butanol, although i use the tip3p for water in the system (mixture water-butanol), I want use different