RE: [gmx-users] tables.xvg warning - error

2008-10-30 Thread Berk Hess
tables might be incorrect. Berk Date: Thu, 30 Oct 2008 14:35:31 + From: [EMAIL PROTECTED] To: gmx-users@gromacs.org Subject: [gmx-users] tables.xvg warning - error Hello, In previous versions I do not get that error. My potential uses tables for non bonded intermolecular interactions. In gromac

[gmx-users] tables.xvg warning - error

2008-10-30 Thread Claus Valka
Hello, In previous versions I do not get that error. My potential uses tables for non bonded intermolecular interactions. In gromacs-4.0 I get the following: WARNING: For the 1131 non-zero entries for table 1 in table_CGAC_CGCNZ.xvg the forces deviate on average 222% from minus the numerical d