Register Log In

CHARMM Development Project Forums User Discussion & Questions Energy terms, Constraints, Restraints, and Solvation CMAP correction, !NCRTERM definitions for multiple solutes

Print Thread

Re: CMAP correction, !NCRTERM definitions for multiple solutes ASmittie #38326 08/13/21 05:41 PM
Joined: Sep 2003 Posts: 8,660 Likes: 26 39 59 56 N, 77 06 07 W rmv Forum Member
rmv Forum Member Joined: Sep 2003 Posts: 8,660 Likes: 26 39 59 56 N, 77 06 07 W	I believe each instance should be listed in the PSF, but only a single definition and data table should be needed in the PARAM file. Did the missing cross-term map error messages go away? Rick Venable computational chemist

Entire Thread
Subject	Posted By	Posted
CMAP correction, !NCRTERM definitions for multiple solutes	ASmittie	08/11/21 11:17 PM
Re: CMAP correction, !NCRTERM definitions for multiple solutes	rmv	08/12/21 04:43 PM
Re: CMAP correction, !NCRTERM definitions for multiple solutes	ASmittie	08/12/21 08:29 PM
Re: CMAP correction, !NCRTERM definitions for multiple solutes	rmv	08/13/21 05:41 PM
Re: CMAP correction, !NCRTERM definitions for multiple solutes	ASmittie	08/24/21 08:33 AM
Re: CMAP correction, !NCRTERM definitions for multiple solutes	rmv	08/24/21 01:48 PM
Re: CMAP correction, !NCRTERM definitions for multiple solutes	ASmittie	08/27/21 09:08 PM
Re: CMAP correction, !NCRTERM definitions for multiple solutes	rmv	08/28/21 04:29 PM
Re: CMAP correction, !NCRTERM definitions for multiple solutes	ASmittie	08/31/21 11:04 PM

Moderated by BRBrooks, lennart, rmv

Link Copied to Clipboard

Powered by UBB.threads™ PHP Forum Software 7.7.5
(Release build 20201027)

Responsive Width:

PHP: 7.3.31-1~deb10u5 Page Time: 0.038s Queries: 17 (0.033s) Memory: 0.7434 MB (Peak: 0.7823 MB) Data Comp: Off Server Time: 2023-12-10 13:14:36 UTC
Valid HTML 5 and Valid CSS