Re: [modeller_usage] problem with GluP ACe CT3 patch
To: Prevost Martine <>,
Subject: Re: [modeller_usage] problem with GluP ACe CT3 patch
From: Modeller Caretaker <>
Date: Wed, 20 Apr 2016 09:50:56 -0700
On 4/20/16 2:31 AM, Prevost Martine wrote:
I am trying to patch a protonated glu as well as ACE and CT3.
Most of the documentation on patches is for DISU.
As for ACE or CT3 (which is what I tried first) I used:
Your script looks fine to me (obviously I can't run it without the rest
of your inputs though). And all three patches work fine for me with both
automodel and allhmodel. Is it possible you are using a different
topology file that doesn't have these patches in it, or you are doing
something else unusual?
Another question for GLUP patching in no hydrogen models how can one be sure that one got indeed GLUP?
Look in the log file for the "segment topology patched using RTF"
message. But in no hydrogen models the GLUP patch doesn't do anything
except change the charges, which aren't used anyway, so it doesn't
really matter whether or not it gets applied.