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Bug #1630

grompp allows to specify vdwtype = PME and dispcorr != no

Added by David van der Spoel almost 6 years ago. Updated almost 6 years ago.

Status:
Closed
Priority:
Normal
Assignee:
David van der Spoel
Category:
-
Target version:
5.0.3
Affected version - extra info:
Affected version:
5.0
Difficulty:
uncategorized
Close

Description

Subject says it all.

History

#1 Updated by Gerrit Code Review Bot almost 6 years ago

Gerrit received a related patchset '1' for Issue #1630.
Uploader: David van der Spoel ()
Change-Id: Ia8bb2c7b7a7564f6f50da545b34b0eba56bad071
Gerrit URL: https://gerrit.gromacs.org/4176

#2 Updated by David van der Spoel almost 6 years ago

  • Status changed from New to Rejected

Superfluous.

#3 Updated by David van der Spoel almost 6 years ago

  • Status changed from Rejected to Closed

#4 Updated by Berk Hess almost 6 years ago

Someone reported the same issue before.
Is the documentation unclear on this point?
Or is it just that it is counter-intuitive that a dispersion correction is possible with LJ-PME?

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