Analysing residue names: There are: 31 Protein residues There are: 2442 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: 0.094, 0.093 nm Largest charge group radii for Coulomb: 0.095, 0.095 nm Calculating fourier grid dimensions for X Y Z Using a fourier grid of 96x96x96, spacing 0.104 0.104 0.104 This run will generate roughly 63 Mb of data Application 147165 resources: utime ~0s, stime ~0s, Rss ~4072, inblocks ~17743, outblocks ~33750 -------------------------------------------------- Begin PBS Epilogue hexagon.bccs.uib.no Date: Thu Dec 11 10:58:21 CET 2014 Job ID: 1598367.sdb Username: tve045 Group: tve045 Job Name: gmx Session: 6947 Limits: walltime=01:00:00 Resources: walltime=00:00:03 Queue: small Account: nn4700k End PBS Epilogue Thu Dec 11 10:58:21 CET 2014 --------------------------------------------------