On 25.04.2014 00:07, Ricardo O. S. Soares wrote:
I ran an NVT equilibration of a 24mi CG Martini atoms and detected the
formation of vacuum spots on the solvent.
CG Martini has many sphere types, did you solvate your system
with 24x10^6 MARTINI-W segments?
MARTINI-W is is strongly
Hi Ricardo,
Insanely built systems with polarizable watets may be tricky, especially if
the system is large (not to say humongous). Maybe it's worth adding a stage
using normal Martini water, let that equilibrate (NVT and NpT), and then
add in the polarizable sites, letting the system equilibrate
Hello Mirco, thanks for your reply. Please check my notes below.
Ricardo.
De: Mirco Wahab mirco.wa...@chemie.tu-freiberg.de
Para: gromacs org gmx-users
gromacs.org_gmx-users@maillist.sys.kth.se
Enviadas: Sexta-feira, 25 de Abril de 2014 3:03:18
Assunto: Re: [gmx-users] High Pressure
of Pharmaceutical Sciences at Ribeirão Preto
University of São Paulo - Brazil
- Mensagem original -
De: Tsjerk Wassenaar tsje...@gmail.com
Para: Discussion list for GROMACS users gmx-us...@gromacs.org
Enviadas: Sexta-feira, 25 de Abril de 2014 3:31:52
Assunto: Re: [gmx-users] High
for GROMACS users gmx-us...@gromacs.org
Enviadas: Sexta-feira, 25 de Abril de 2014 3:31:52
Assunto: Re: [gmx-users] High Pressure with Martini system
Hi Ricardo,
Insanely built systems with polarizable watets may be tricky,
especially if
the system is large (not to say humongous). Maybe it's
