r the fast reply.Luana.
Messaggio originale
Da: jalem...@vt.edu
Data: 09/04/2013 19.02
A: "luanadelore...@libero.it", "Discussion list for
GROMACS users"
Ogg: Re: Re: [gmx-users] PTFE polymer chain
Please keep the discussion on the gmx-users list.
O
Please keep the discussion on the gmx-users list.
On Tue, Apr 9, 2013 at 12:55 PM, luanadelore...@libero.it <
luanadelore...@libero.it> wrote:
> Hi Justin,
>
> thansk for the fast reply.
>
> The exact command is this:
>
> pdb2gmx -ff /home/user01/work/oplsaa.ff/ -f PTFE10.pdb -chainsep ter
>
>
>
On Tue, Apr 9, 2013 at 12:21 PM, luanadelore...@libero.it <
luanadelore...@libero.it> wrote:
>
> Hi
> I'm a new user of Gromacs and I want to construct a linear chain of
> polytetrafluoroethylene using the force field oplsaa.
> I created a work directory and I modified the rtp files by introducin
Hi
I'm a new user of Gromacs and I want to construct a linear chain of
polytetrafluoroethylene using the force field oplsaa.
I created a work directory and I modified the rtp files by introducing 3
new residues corresponding to my starter of chain (TFEa), my internal
residue (TFEi), and my ter
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