Ah, okay thanks very much! I thought-sure I had the most recent version,
but apparently not. Still there's one quirk...
x2top -f HexA.gro -o HexA.top -r HexA.rtp -alldih
...This works to generate a topology file, but still, the program is
seg-faulting before writing out the residue type file (*.
Much appreciated, works beautifully!
On 10/10/07, TJ Piggot <[EMAIL PROTECTED]> wrote:
>
> Just as a note editconf will covert a pdb to a gro file
>
> Tom
>
> --On Wednesday, October 10, 2007 09:47:03 -0400 Adam Fraser
> <[EMAIL PROTECTED]> wrote:
>
> > Yes I tried this and it doesn't work for me.
Just as a note editconf will covert a pdb to a gro file
Tom
--On Wednesday, October 10, 2007 09:47:03 -0400 Adam Fraser
<[EMAIL PROTECTED]> wrote:
Yes I tried this and it doesn't work for me. I get:
Fatal error:
Library file ffG53a6.n2t not found in current dir nor in default
directories.
Adam Fraser wrote:
Yes I tried this and it doesn't work for me. I get:
Fatal error:
Library file ffG53a6.n2t not found in current dir nor in default
directories.
(You can set the directories to search with the GMXLIB path variable)
did you use 3.3.2 ? The default and only supported FF ther
Yes I tried this and it doesn't work for me. I get:
Fatal error:
Library file ffG53a6.n2t not found in current dir nor in default
directories.
(You can set the directories to search with the GMXLIB path variable)
Also, doesn't x2top take in a gro file? (not a pdb) I wrote a script that
convert
Adam Fraser wrote:
Hello,
I'm very new to Gromacs, and I am interested in simulating the
interactions of 2 hexadecane (C16H34) molecules in water (SPC/E
specificall). I've spent some time experimenting with tutorials in
Gromacs, but I've found little help in non-protein simulations like this
Hello,
I'm very new to Gromacs, and I am interested in simulating the interactions
of 2 hexadecane (C16H34) molecules in water (SPC/E specificall). I've spent
some time experimenting with tutorials in Gromacs, but I've found little
help in non-protein simulations like this one.
I've built topolo
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