[gmx-users] Gromos 45A4

[Thomas Piggot]

The 45A4 sugar parameters can be found in the 53A6 files.

However, I would be very careful using the parameters in these files. If 
you take a look at the topologies (see the .rtp file) and compare them 
to the parameters given in the 45A4 paper you will see that most of the 
topologies in the 53A6 files are not the same as those described in the 
45A4 paper (for an obvious example see the dihedrals of trehalose). If I 
were you I would make my own rtp entries using the information given in 
the paper.

Cheers

Tom

Hong, Liang wrote:
> Dear all, 
> I have seen people using Gromos 45A4 force field to simulate sugars in Gromacs. But there is no such force field in the version 4.07 I'm using now. Where can I find the 45A4 force field? Or use some other force filed to replace it?
> 
> sincerely,
> Liang-- 
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

-- 
Dr Thomas Piggot
University of Southampton, UK.