[gmx-users] topology with all hydrogens

[Tsjerk Wassenaar]

Hi Mohsen,

So you want to have a topology with all atoms for use in a united atom force
field? Seems a bit awkward... PRODRG will only include polar hydrogens, in
accordance with the GROMOS force field. It won't be a particular trustworthy
topology, though, but you've probably caught the words of caution expressed
regularly on this list.

Cheers,

Tsjerk

On Feb 6, 2011 9:42 AM, "mohsen ramezanpour" <ramezanpour.mohsen at gmail.com>
wrote:

Dear All

I want to generate a topology file in 43A1 force field for a small molecule.
Of course I want one which contains all hydrogens in that.
PRODRG doesn't generate like this.do you know another server with these
conditions?

Thanks in advance
Mohsen

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