Thanks for being so quick.
Cheers,
Albert
On 05/08/2015 03:44 PM, Justin Lemkul wrote:
On 5/8/15 10:43 AM, Albert Solernou wrote:
Thanks Justin,
by removing all the bonded terms from the topology you mean edit
"topol_Protein_chain_A.itp" and remove the sections "bonds", "pairs", "angles",
and "dihedrals"?
Yes, but of course this renders the topology nonfunctional, so make sure you
keep a backup. This applies to any and all topologies that have any bonded
terms in them.
-Justin
--
---------------------------------
Dr Albert Solernou
EPSRC Research Fellow,
Department of Physics and Astronomy,
University of Leeds
Tel: +44 (0)1133 431451
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