Amber Archive Nov 2022: by messages with attachments

Re: [AMBER] about mmgbsa method laura zhang via AMBER (Wed Nov 02 2022 - 13:39:10 PDT)
1. image.png (194316 bytes)
[AMBER] Installation of amber18 on on parallel CPU Dulal Mondal via AMBER (Thu Nov 03 2022 - 22:04:28 PDT)
1. 11-04_01-35-38.log (52079 bytes)
2. 11-04_01-35-38.diff (812 bytes)
3. 11-04_01-19-17.log (219791 bytes)
[AMBER] Metal center created with MCPB.py collapses on MD start? Gustavo Seabra via AMBER (Fri Nov 04 2022 - 19:06:39 PDT)
1. MCPB.in (410 bytes)
[AMBER] Autoimage cannot find topology information Hunter Wilson via AMBER (Tue Nov 08 2022 - 10:39:10 PST)
1. 7JSD_tleap.in (1017 bytes)
2. ptraj.in (1903 bytes)
3. 7JSD_mcpbpy.pdb (278698 bytes)
Re: [AMBER] Installation Problem Matthew Guberman-Pfeffer via AMBER (Thu Nov 10 2022 - 06:06:36 PST)
1. 11-10_02-12-30.diff (7036 bytes)
[AMBER] Installation of amber18 on on parallel CPU Dulal Mondal via AMBER (Fri Nov 11 2022 - 10:49:21 PST)
1. 11-11_23-16-21.log (36036 bytes)
2. 11-11_22-37-12.log (221628 bytes)
[AMBER] Installation of amber18 (MPI version) with CPU and intel mpi Dulal Mondal via AMBER (Fri Nov 11 2022 - 23:59:33 PST)
1. 11-12_01-00-19.log (65070 bytes)
2. 11-12_00-21-45.log (216784 bytes)
Re: [AMBER] Installation of amber18 (MPI version) with CPU and intel mpi Dulal Mondal via AMBER (Mon Nov 14 2022 - 23:47:34 PST)
1. 11-15_12-37-13.log (51832 bytes)
2. 11-15_12-37-13.diff (1267 bytes)
3. 11-15_11-53-03.log (219971 bytes)
Re: [AMBER] Unable to access xleap software! Swapnil Singh via AMBER (Tue Nov 15 2022 - 13:06:23 PST)
1. image.png (251733 bytes)
[AMBER] Gradual heating: Linear response pressure? Hocine EL KHAOUDI ENYOURY via AMBER (Thu Nov 17 2022 - 01:49:12 PST)
1. Attachment.tiff (292798 bytes)
[AMBER] Temperature drop while switching from NVT to NPT during equilibration Reim, Thorben via AMBER (Thu Nov 17 2022 - 03:46:21 PST)
1. heat_nvt.mdin (1227 bytes)
2. volume_npt.min (974 bytes)
[AMBER] Messages not getting through to the Amber Mailing List? Gert Kruger via AMBER (Tue Nov 22 2022 - 08:25:48 PST)
1. DFE85E5DBA6C41738CE761B8F9C857F5.png (144 bytes)
[AMBER] Antechamber and py_resp qout format Евгений Кадцын via AMBER (Thu Nov 24 2022 - 10:05:17 PST)
1. ace_leuol.quout2 (2998 bytes)
2. ace_leuol.mol2 (2886 bytes)
[AMBER] Questions about reading the right LJ_Acoef values in *.prmtop file ChenXin via AMBER (Fri Nov 25 2022 - 23:04:15 PST)
1. a.prmtop (42825 bytes)
[AMBER] Inconsistent GPU Results Matthew Guberman-Pfeffer via AMBER (Sun Nov 27 2022 - 06:44:50 PST)
1. TImin_0.04_worked.out (46764 bytes)
2. TImin_0.04_failed.out (46764 bytes)
Re: [AMBER] {SPAM?} Inconsistent GPU Results Matthew Guberman-Pfeffer via AMBER (Sun Nov 27 2022 - 07:58:35 PST)
1. 1.tiff (202540 bytes)
[AMBER] test FAILURE in ired.vec.diff Martin Juhás via AMBER (Tue Nov 29 2022 - 08:05:49 PST)
1. smime.p7s (6765 bytes)

Amber Archive Nov 2022 by messages with attachments