Hi all
I have never posted to the mailing list before but it has proven very
helpful in the past.
I'm looking for the 45A4 force field. I've been asking Mr. Google but so
far I haven't had any luck locating it. This is I imagine probably down to
the wrong keywords or something
I want to do some
Marc Gordon wrote:
Hi all
I have never posted to the mailing list before but it has proven very
helpful in the past.
I'm looking for the 45A4 force field. I've been asking Mr. Google but so
far I haven't had any luck locating it. This is I imagine probably down
to the wrong keywords or so
Oh awesome. Thanks so much for this.
I've never worked with GROMOS or gromacs themselves. I'm going to need to
look up whether or not it is possible to use these files to generate files
in the gromacs format required as input for NAMD now but at least having
access to the force fields puts me that
Marc Gordon wrote:
Oh awesome. Thanks so much for this.
I've never worked with GROMOS or gromacs themselves. I'm going to need
to look up whether or not it is possible to use these files to generate
files in the gromacs format required as input for NAMD now but at least
having access to the
Ah well no worries. I will delve back into the gromacs and NAMD user guides
and see what I can dig up with regards to getting these GROMOS files
working through NAMD.
Thanks again for the help you have given me.
Marc
On Wed, Mar 28, 2012 at 4:19 PM, Justin A. Lemkul wrote:
>
>
> Marc Gordon w
Hi Marc,
Though I never came across ready-to-use files for Gromos 45A4, you can
for sure get all the parameters for carbohydrates from [1] and
transfer them into a Gromacs format (make sure to convert all the
units).
Searching briefly for the term 45A4 in [2] lets me believe, that the
parameters
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