Ho THANKS
MANY THANKS
I'm sorry, I'm new to Gromacs, and finally got it. Thank you very much.
Hagit.
2012/5/2 Mark Abraham mark.abra...@anu.edu.au
On 2/05/2012 8:55 PM, Hagit G wrote:
Hi gmx users,
Well, I saw this question but the answer was not understood.
I'm trying to work with
On 5/2/12 6:55 AM, Hagit G wrote:
Hi gmx users,
Well, I saw this question but the answer was not understood.
I'm trying to work with the file 1PPB.pdb. There are 2 chains connected with a
disulfide bond. Gromacs automatically adds H atoms.
Although the disulfide bond is there, Gromacs ignore
On 2/05/2012 8:55 PM, Hagit G wrote:
Hi gmx users,
Well, I saw this question but the answer was not understood.
I'm trying to work with the file 1PPB.pdb. There are 2 chains
connected with a disulfide bond. Gromacs automatically adds H atoms.
Although the disulfide bond is there, Gromacs
Hi Maik,
Thanks for the warning and the tip, I have already donwloaded and will
read that paper today, it seems to be what I need.
I have been working with MD for some 6 months now (I know that's not
much), and have had the help of some knowledgeable people, but they
are unavailable right now.
I
Dear All,
In working with Nelson on his problem (below), I made some headway into figuring
out what is going on with the ffG43a1p force field files. I know a few others
have asked questions about it across this list, so I thought I would send this
out to everyone.
By modifying a few entries in
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