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Bug #2332

verlet + pme-user should give grompp and mdrun fatal error

Added by Mark Abraham over 1 year ago. Updated over 1 year ago.

Status:
Closed
Priority:
Normal
Assignee:
Category:
core library
Target version:
Affected version - extra info:
probably all since 4.6
Affected version:
Difficulty:
uncategorized
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Description

A report on gmx-users mentioned this combination and that of course they got the energies from a normal run. We should be giving a fatal error for this combination

Associated revisions

Revision 9283b607 (diff)
Added by Paul Bauer over 1 year ago

Disallow combination of PME-user and verlet cutoff

Fixes #2332

Change-Id: I127a5680a0a83b7e5f8163b99619a6cc3729a992

History

#1 Updated by Gerrit Code Review Bot over 1 year ago

Gerrit received a related patchset '1' for Issue #2332.
Uploader: Paul Bauer ()
Change-Id: gromacs~release-2016~I127a5680a0a83b7e5f8163b99619a6cc3729a992
Gerrit URL: https://gerrit.gromacs.org/7297

#2 Updated by Gerrit Code Review Bot over 1 year ago

Gerrit received a related patchset '1' for Issue #2332.
Uploader: Paul Bauer ()
Change-Id: gromacs~master~I127a5680a0a83b7e5f8163b99619a6cc3729a992
Gerrit URL: https://gerrit.gromacs.org/7298

#3 Updated by Paul Bauer over 1 year ago

  • Status changed from New to Resolved

#4 Updated by Mark Abraham over 1 year ago

  • Status changed from Resolved to Closed

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