Hi,
I have the following problems
kunal@kunal-HP-Pavilion-Notebook:~/Downloads/gromacs-5.0/build$ cmake ..
-DGMX_BUILD_OWN_FFTW=ON
CMake Warning at src/contrib/fftw/CMakeLists.txt:79 (message):
The GROMACS build will download FFTW 3.3.3 as requested, but it will not
know the file it
Hi gmx users,
I want to consider one organic molecule of solute dissolved in several
molecules of water.
How to fix molar concentrations in gromacs ? ( say 0.1 M )
Thanks,
Vidya.R
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On 10/28/17 2:24 PM, Rose wrote:
Hello,
this is topol.top
---
; Include forcefield parameters
#include "amber03.ff/forcefield.itp"
[ moleculetype ]
; Namenrexcl
ZnS 3
#include "ZnS.itp"
#include "thr.itp"
; Include Position restraint file
#ifdef POSRES
On 10/28/17 5:49 AM, Archana Sonawani-Jagtap wrote:
Dear all,
I have used SPC water model with CHARMM27 forcrfield for performing 100ns
protein-DNA simulation instead of TIP3P. I wanted to know if SPC water
model can affect my simulation results in anyway considering many charged
residues.
Hello,
this is topol.top
---
; Include forcefield parameters
#include "amber03.ff/forcefield.itp"
[ moleculetype ]
; Namenrexcl
ZnS 3
#include "ZnS.itp"
#include "thr.itp"
; Include Position restraint file
#ifdef POSRES
#include "posre.itp"
#endif
; Include
Hello,
this is topol.top
---
; Include forcefield parameters
#include "amber03.ff/forcefield.itp"
[ moleculetype ]
; Namenrexcl
ZnS 3
#include "ZnS.itp"
#include "thr.itp"
; Include Position restraint file
#ifdef POSRES
#include "posre.itp"
#endif
; Include
Dear all,
I have used SPC water model with CHARMM27 forcrfield for performing 100ns
protein-DNA simulation instead of TIP3P. I wanted to know if SPC water
model can affect my simulation results in anyway considering many charged
residues.
Please help me out.
Archana Jagtap
PhD student
India.
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