Hi users,
I've searched the web for tools that convert atom names in pdb files from e.g.
gromos nomenclature to amber or stockholm lipid nomenclature, but with no luck.
Manually mapping the atom names is obviously error prone, so if anyone know of
a script or a smart approach for this, do
Hi Erik,
It's not a very smart approach, but I have a very basic script that can
convert CHARMM36 (and probably Slipids as I think they are named and
ordered the same) into some united-atom force fields (43A1-S3, Berger,
53A6L and CKP). I can dig it out and send it to you off list, if you are
Hi Tom,
Yes. that sounds like a good starting point. Please send.
Erik
On 6 Feb 2014, at 19:39, Thomas Piggot t.pig...@soton.ac.uk wrote:
Hi Erik,
It's not a very smart approach, but I have a very basic script that can
convert CHARMM36 (and probably Slipids as I think they are named and
