Marysa van den Berg wrote:
Hi,
The number of atoms in the second line of my .gro file are correct, I
checked that.
This is what my topology file says in the beginning:
[ moleculetype ]
; Name nrexcl
Protein 3
No changes here after the solvation.
At the end after the [ atom
Hi,
The number of atoms in the second line of my .gro file are correct, I checked
that.
This is what my topology file says in the beginning:
[ moleculetype ]
; Name nrexcl
Protein 3
No changes here after the solvation.
At the end after the [ atoms ] directive:
Do you have the right number of atoms indicated on the second line of the .gro
file? What is in your [molecules] directive in your topology?
-Justin
Marysa van den Berg wrote:
Hi,
I have a problem with Gromacs. I want to do MD simulations with my
proteïn in a DPPC-membrane.
Therefore I f
Hi Marysa,
The error is about the definition of mulecules, which suggests that
there are no [ moleculetype ] directives. Did you #include the proper
.itp file(s) with the necessary moleculetype definitions? If not,
you'll have to provide more information, probably posting the topology
file itself.
Hi,
I have a problem with Gromacs. I want to do MD simulations with my proteïn in a
DPPC-membrane.
Therefore I followed Justin Lemkul's tutorial on membrane proteïn simulation. I
just used a bigger
membrane (256 lipids instead of 128). I managed to correctly embed the proteïn
in the bilay
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