Analysing residue names: There are: 19 Protein residues There are: 1628 Other residues Analysing Protein... Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups... Largest charge group radii for Van der Waals: 0.093, 0.093 nm Largest charge group radii for Coulomb: 0.093, 0.093 nm Calculating fourier grid dimensions for X Y Z Using a fourier grid of 80x80x80, spacing 0.112 0.112 0.112 This run will generate roughly 33 Mb of data Application 31685 resources: utime ~0s, stime ~0s, Rss ~3848, inblocks ~17180, outblocks ~33544 -------------------------------------------------- Begin PBS Epilogue hexagon.bccs.uib.no Date: Fri Nov 28 15:46:10 CET 2014 Job ID: 1588714.sdb Username: tve045 Group: tve045 Job Name: gmx Session: 22752 Limits: walltime=01:00:00 Resources: walltime=00:00:02 Queue: small Account: nn4700k End PBS Epilogue Fri Nov 28 15:46:10 CET 2014 --------------------------------------------------