Amber Archive Apr 2021: by messages with attachments

[AMBER] Heat Output File Issue Swisher, Justin S (Fri Apr 02 2021 - 12:35:35 PDT)
1. minimization_output_file.txt (11060 bytes)
2. heat_output_file.txt (3537 bytes)
[AMBER] Error using MCPB Maschietto, Federica (Wed Apr 07 2021 - 08:08:02 PDT)
1. Archive.zip (3514 bytes)
[AMBER] Per residue free energy decomposition is not working ABDUL BASIT (Wed Apr 07 2021 - 08:42:10 PDT)
1. FINAL_RESULTS_MMPBSA.dat (4399 bytes)
2. FINAL_DECOMP_MMPBSA.dat (115846 bytes)
[AMBER] Questions about amber-adding counterions 马芳芳 (Sat Apr 10 2021 - 18:54:21 PDT)
1. water_Na.zip (2254 bytes)
[AMBER] chromophore file. David Gae (Sat Apr 10 2021 - 23:44:22 PDT)
1. correctedSUB.prepin (6093 bytes)
2. correctedSUB.frcmod (4487 bytes)
3. BV9.cdxml (11940 bytes)
Re: [AMBER] Questions about amber-adding counterions (Carlos Simmerling) 马芳芳 (Sun Apr 11 2021 - 17:16:00 PDT)
1. leap.log (573610 bytes)
[AMBER] SMD analysing question (Xiaodong) 吴晓东 (Tue Apr 13 2021 - 18:26:04 PDT)
1. schq1npt.png (8442 bytes)
2. h1h1ohz0.png (9961 bytes)
Re: [AMBER] .rst file not produced during production run Roberts, Amy L2 (Fri Apr 16 2021 - 12:04:57 PDT)
1. wat_md.out (13162 bytes)
Re: [AMBER] Umbrella sampling on Amber 18 vs Amber 20 Ramin Mehrani (Sat Apr 17 2021 - 10:20:32 PDT)
1. Amber18.PNG (53288 bytes)
2. Amber20.PNG (45564 bytes)
[AMBER] protein sticking out of solvation box causing instability Neville Bethel (Tue Apr 20 2021 - 10:34:53 PDT)
1. trimer_example_8.png (379225 bytes)
2. trimer_example_0.png (368754 bytes)
3. 3_eq1.mdout (19473 bytes)
Re: [AMBER] running sander.MPI :forrtl: severe (174): SIGSEGV, segmentation fault occurred 周丽萍 (Wed Apr 21 2021 - 05:29:55 PDT)
1. anneal5.out (16431 bytes)
2. anneal6.out (8963 bytes)
Re: [AMBER] protein sticking out of solvation box causing instability Neville Bethel (Wed Apr 21 2021 - 13:37:59 PDT)
1. 04-21_at_1.25.19_PM.png (24779 bytes)
[AMBER] parmchk2 Alesadi, Amirhadi (Thu Apr 22 2021 - 20:26:23 PDT)
1. b0raszyb.png (15803 bytes)
[AMBER] WARNING: INCONSISTENCIES EXIST WITHIN INTERNAL POTENTIAL TERMS. THE VALIDITY OF THESE RESULTS ARE HIGHLY QUESTIONABLE 周丽萍 (Fri Apr 23 2021 - 20:28:24 PDT)
1. final_20ns_2.dat (5763 bytes)
Re: [AMBER] Apply Lennar-Jones potential between small molecules Jaime Rubio Martinez (Wed Apr 28 2021 - 01:51:55 PDT)
1. parmed_vdW.inp (158 bytes)
2. Run_parmed_vdW (78 bytes)
[AMBER] Problems to install AmberTools20 Miguel Garavís (Wed Apr 28 2021 - 04:33:42 PDT)
1. CMakeError.log (2269 bytes)
2. CMakeOutput.log (128510 bytes)
[AMBER] Trouble Creating a pdb File Khong, Megan (Wed Apr 28 2021 - 14:14:36 PDT)
1. wat.prmtop (214476 bytes)
2. wat_md.rst (63168 bytes)
Re: [AMBER] Trouble Creating a pdb File Gustaf Olsson (Wed Apr 28 2021 - 23:40:35 PDT)
1. pdbfile.pdb (106352 bytes)

Amber Archive Apr 2021 by messages with attachments