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 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 interested?
Cheers
Tom
On 02/06/2014 03:07 PM, Erik Marklund wrote:
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 tell.
Kind regards,
Erik
Erik Marklund, PhD
Postdoctoral Research Associate
Department of Chemistry
Physical Theoretical Chemistry Laboratory
University of Oxford
South Parks Road
Oxford
OX1 3QZ
--
Dr Thomas Piggot
University of Southampton, UK.
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