Amber Archive Feb 2022: by messages with attachments

Re: [AMBER] Amber20 Installation run_cmake problem Manuel Fernandez Merino (Wed Feb 02 2022 - 00:57:33 PST)
1. cmake.log (88697 bytes)
[AMBER] Void bubbles forming in minimization with single nucleoside/solvent? Kenneth Huang (Wed Feb 02 2022 - 10:05:52 PST)
1. amberrun.sh (4400 bytes)
2. 01_min.pdb (191370 bytes)
3. 01a_sol_min.rst (51812 bytes)
4. DTN_21.prmtop (364522 bytes)
5. DTN_21.inpcrd (77473 bytes)
6. 01a_sol_min.in (213 bytes)
7. DTN_21.pdb (2349 bytes)
Re: [AMBER] trouble finding vdW parameters for methanol Debarati DasGupta (Tue Feb 08 2022 - 07:56:12 PST)
1. frcmod.meoh (213 bytes)
2. methanol_solvated.pdb (84727 bytes)
3. MOH.pdb (166 bytes)
4. MOH.prepi (506 bytes)
[AMBER] Issues with make test.parallel during installation of parallel version of Amber IPSITA Banerjee (Wed Feb 09 2022 - 13:49:29 PST)
1. maketestparallel_output.txt (10407 bytes)
[AMBER] solvation failed with Amber 20 Qinghua Liao (Wed Feb 09 2022 - 15:23:58 PST)
1. solvation.png (240704 bytes)
Re: [AMBER] Query regarding 3DRISM calculation ABDUL BASIT (Wed Feb 09 2022 - 20:55:13 PST)
1. Fig.tiff (154886 bytes)
2. rec.pdb (92012 bytes)
[AMBER] problem in the protein-ligand system Renato Araujo (Thu Feb 10 2022 - 05:52:19 PST)
1. 02-10_10-50-51.png (226431 bytes)
2. 02-10_10-51-30.png (464699 bytes)
Re: [AMBER] Ambrtool16 make install error spss4.iacs.res.in (Wed Feb 16 2022 - 07:33:13 PST)
1. cmake.log (16921 bytes)
2. CMakeError.log (2878 bytes)
3. CMakeOutput.log (76084 bytes)
Re: [AMBER] Bug in mmpbsa.py internal energy when idecomp is 3 or 4 Tue Boesen (Thu Feb 17 2022 - 09:24:17 PST)
1. example.zip (78998 bytes)
Re: [AMBER] Ambrtool16 make install error spss4.iacs.res.in (Wed Feb 23 2022 - 04:00:17 PST)
1. CMakeOutput.log (74159 bytes)
[AMBER] LEaP Not Reading a Parameter in .frcmod File Nathan Black (Thu Feb 24 2022 - 06:50:33 PST)
1. leap.log (15804 bytes)
2. surfactant_tail_head_boundary.frcmod (436 bytes)
[AMBER] Segmentation Fault (Core Dumped) in xLEaP Nathan Black (Thu Feb 24 2022 - 13:40:53 PST)
1. dipeptide_surfactant_tail_head_boundary.frcmod (500 bytes)
2. dipeptide_step4_leap_generate_monomer_units_amber20.in (2969 bytes)
3. dipeptide_UNA.frcmod (67 bytes)
4. dipeptide_run_step4_amber18 (122 bytes)
5. dipeptide_UNA.prepin (2631 bytes)
6. leap.log (21126 bytes)
[AMBER] Fwd: Ambrtool16 make install error spss4.iacs.res.in (Fri Feb 25 2022 - 00:20:49 PST)
1. CMakeOutput.log (74158 bytes)
Re: [AMBER] Segmentation Fault (Core Dumped) in xLEaP Nathan Black (Fri Feb 25 2022 - 09:04:46 PST)
1. dipeptide_UNA.frcmod (67 bytes)
2. dipeptide_surfactant_tail_head_boundary.frcmod (500 bytes)
3. dipeptide_run_step4_amber20 (122 bytes)
4. dipeptide_UNA.prepin (2631 bytes)
5. dipeptide_step4_leap_generate_monomer_units_amber20.in (3620 bytes)
Re: [AMBER] Segmentation Fault (Core Dumped) in xLEaP Nathan Black (Fri Feb 25 2022 - 12:50:49 PST)
1. dipeptide_prepgen.mc (84 bytes)
2. dipeptide_UNA.frcmod (67 bytes)
3. dipeptide_surfactant_tail_head_boundary.frcmod (500 bytes)
4. run_debug1_tleap_amber20 (80 bytes)
5. dipeptide_step4_debug1_amber20.in (1178 bytes)
6. dipeptide_step4_debug4_amber20.in (754 bytes)
7. run_debug4_tleap_amber20 (80 bytes)
8. dipeptide_step4_debug6_amber20.in (1232 bytes)
9. run_debug6_tleap_amber20 (80 bytes)
[AMBER] Error: an illegal memory access was encountered launching kernel kClearForces Állan Ferrari (Sun Feb 27 2022 - 17:18:11 PST)
1. nvt.log (8116 bytes)

Amber Archive Feb 2022 by messages with attachments