-up a simulation of protein monosaccharides (Methyl-Mannose) using
GROMOS and also CHARM. Moreover, what would be the appropriate choice for
protein in both case ? Although, I would like to use AMBER for proteins.
Many thanks,
Mish
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Many thanks :). It should be enough to start.
Best,
Mish
On Fri, Mar 20, 2015 at 6:32 PM, Thomas Piggot t.pig...@soton.ac.uk wrote:
Hi,
You can download the parameters from:
http://dqfnet.ufpe.br/biomat/Software_files/GROMOS-53A6glyc.tar
I have used them and they seem to perform fine
how well the parameters
perform, as well.
-Justin
2015-03-20 13:51 GMT-03:00 Justin Lemkul jalem...@vt.edu:
On 3/20/15 12:46 PM, mish wrote:
Many thanks. Is it possible that GROMOS parameters re also available in
similar format like CHARMM? With GROMACS there is only aminoacids.rtp
thanks,
Mish
On Fri, Mar 20, 2015 at 5:00 PM, Marcelo Depólo marcelodep...@gmail.com
wrote:
There is also a Modified GROMOS forcefield for glycans here:
http://dx.doi.org/10.1021/ct300479h
Cheers!
--
Marcelo Depólo Polêto
Student of MSc Cell and Molecular Biology - UFRGS (Brazil)
B.Sc
)
but not for carbohydrates. Do I need to get GROMOS one from literature ?
On Fri, Mar 20, 2015 at 5:36 PM, Justin Lemkul jalem...@vt.edu wrote:
On 3/20/15 12:30 PM, mish wrote:
Many thanks. I know parameters are available in literature but my
question
was how to use them in GROMACS. Now, I
