From 917f9a8c416725e5e53f0637fee4121a229ab440 Mon Sep 17 00:00:00 2001 From: Theresa Windus Date: Tue, 16 Jan 2001 23:06:43 +0000 Subject: [PATCH] Tjerk's additions --- release.notes.4.0 | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/release.notes.4.0 b/release.notes.4.0 index f0d4fdf8be..1586a47e4d 100644 --- a/release.notes.4.0 +++ b/release.notes.4.0 @@ -275,8 +275,13 @@ List of Release 4.0.1 changes in the source and binary download files: when run in parallel o QM MD restarts no longer fail under MPI o MD restart files are no longer overwritten + o DNA and RNA fragments were missing some ring closure bonds. + o In the prepare module, the distance restraint definition is fixed. + o In the MD module, some printing has been removed when performing + distance restraints. o Order of variables for the LINK card in the PDB file is now correct o COSMO gradients are now always calculated numerically. o UDFT calculations with COSMO behave better. o NWChem now dies gracefully when COSMO is run with either spherical basis functions or with ECPs. + o Documentation has been updated based on the above changes.