[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
Re: [modeller_usage] fwd:problem with GluP ACe CT3 patch
- To: Prevost Martine <mprevost AT ulb.ac.be>, modeller_usage@listsrv.ucsf.edu
- Subject: Re: [modeller_usage] fwd:problem with GluP ACe CT3 patch
- From: Modeller Caretaker <modeller-care@ucsf.edu>
- Date: Thu, 21 Apr 2016 08:00:50 -0700
On 4/21/16 2:42 AM, Prevost Martine wrote:
Below is the full input:
The full input would also include any alignment or PDB files; see
https://salilab.org/modeller/9.16/manual/node10.html
I don't understand the argument for GLUP in noH models. If the total
charge of GLUP is zero it should influence differently (compared to
Glu -1) the interaction of it with surrounding residues in the
construction of the model via the classical part of the force field
(Coulomb term)?
The Modeller forcefield doesn't contain a Coulomb term.
Ben Webb, Modeller Caretaker
--
modeller-care@ucsf.edu https://salilab.org/modeller/
Modeller mail list: https://salilab.org/mailman/listinfo/modeller_usage