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tsoc
openmm
Commits
cc8cdf60
Unverified
Commit
cc8cdf60
authored
Feb 27, 2023
by
Peter Eastman
Committed by
GitHub
Feb 27, 2023
Browse files
Fix a broken URL again (#3981)
parent
fa893467
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docs-source/usersguide/application/02_running_sims.rst
docs-source/usersguide/application/02_running_sims.rst
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docs-source/usersguide/application/02_running_sims.rst
View file @
cc8cdf60
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@@ -525,7 +525,7 @@ carbohydrates, include that file as well:
forcefield = ForceField('
amber14
-
all
.
xml
', '
amber14
/
tip3pfb
.
xml
', '
amber14
/
GLYCAM_06j
-
1.
xml
')
Be aware that GLYCAM works somewhat differently from most force fields. It uses
its own nonstandard `naming convention <http://
legacy.
glycam.org/docs/forcefield/glycam-naming-2>`_
its own nonstandard `naming convention <http://glycam.org/docs/forcefield/glycam-naming-2>`_
for carbohydrates, and requires your input file to follow it. If any residues have
names different from what it expects, GLYCAM will be unable to assign parameters
to them.
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