Amber Archive Jul 2018: by messages with attachments

[AMBER] Calcutaion of the observed acceptance ratio from simulation RITUPARNA ROY (Fri Jul 06 2018 - 06:07:46 PDT)
1. rem.log (588199 bytes)
Re: [AMBER] setting ionic strength in leap Kris Feher (Fri Jul 06 2018 - 06:32:28 PDT)
1. rel2_volume.png (33357 bytes)
2. rel3_volume.png (52521 bytes)
3. prod1_volume.png (60105 bytes)
Re: [AMBER] Puckering parameters for pyranose ring Rajarshi Roy (Mon Jul 09 2018 - 03:47:43 PDT)
1. 301.png (119673 bytes)
2. 301_data.png (19705 bytes)
[AMBER] issues with accelerated MD in chloroform Chetna Tyagi (Mon Jul 09 2018 - 11:37:11 PDT)
1. image.png (426353 bytes)
[AMBER] translational diffusion coefficient from MSD Kris Feher (Thu Jul 12 2018 - 15:44:36 PDT)
1. r_diffusion.png (224266 bytes)
[AMBER] Fwd: issues with accelerated MD in chloroform Chetna Tyagi (Fri Jul 13 2018 - 03:48:15 PDT)
1. image.png (426353 bytes)
[AMBER] error in leap prmtop incprd preparation senal dinuka (Sun Jul 15 2018 - 08:10:59 PDT)
1. amber.pdb (679479 bytes)
2. leap.in (395 bytes)
Re: [AMBER] translational diffusion coefficient from MSD Kris Feher (Sun Jul 15 2018 - 15:04:33 PDT)
1. r_diffusionWAT.png (133956 bytes)
2. r_diffusionWAT1.png (209902 bytes)
[AMBER] Problem with NaN and Asteriks Jorge Curima (Tue Jul 17 2018 - 11:59:01 PDT)
1. NaNAndAsteriskProblem.jpeg (224105 bytes)
Re: [AMBER] Problem with NaN and Asteriks Jorge Curima (Tue Jul 17 2018 - 13:44:07 PDT)
1. ArchIn.zip (3028 bytes)
[AMBER] Advice on using GLYCAM parameters senal dinuka (Tue Jul 17 2018 - 23:51:08 PDT)
1. image.png (6933 bytes)
Re: [AMBER] peptide bond restraints lucrecia bogado (Wed Jul 18 2018 - 14:40:25 PDT)
1. lig.pdb (39480 bytes)
Re: [AMBER] peptide bond restraints lucrecia bogado (Thu Jul 19 2018 - 15:50:14 PDT)
1. B95_opt.pdb (4112 bytes)
Re: [AMBER] Regarding the MPI error in parallel running of 3D-RISM PRITI ROY (Wed Jul 25 2018 - 22:13:13 PDT)
1. A.pdb (438525 bytes)
[AMBER] The instructions of the .out file Zhonghua Xia (Fri Jul 27 2018 - 03:48:05 PDT)
1. smime.p7s (1495 bytes)
[AMBER] The instructions of the .out file Zhonghua Xia (Fri Jul 27 2018 - 03:57:25 PDT)
1. smime.p7s (1495 bytes)
[AMBER] The instructions of the .out file Zhonghua Xia (Fri Jul 27 2018 - 04:04:35 PDT)
1. smime.p7s (1495 bytes)
Re: [AMBER] The instructions of the .out file Thomas Cheatham (Fri Jul 27 2018 - 13:37:27 PDT)
1. smime.p7s (1495 bytes)
Re: [AMBER] Gaff vs Gaff2 when using antechamber to generate charges Yuliana Bosken (Sun Jul 29 2018 - 10:23:42 PDT)
1. igp.mol2 (3547 bytes)
2. igp_gaff.prepc (2854 bytes)
3. igp_gaff2.prepc (2854 bytes)
Re: [AMBER] Amber ff for oniom method Rinsha Chk (Sun Jul 29 2018 - 21:27:07 PDT)
1. _atom_types.txt (27814 bytes)
[AMBER] SANDER BOMB in subroutine qm2_extern_get_qm_forces Devashish_Das (Mon Jul 30 2018 - 01:07:32 PDT)
1. gQMMM.out (18642 bytes)
[AMBER] Cpptraj PCA analysis - correlation between PCs? Markowska (Tue Jul 31 2018 - 01:28:55 PDT)
1. PC2vsPC3.png (5656 bytes)
2. PC1vsPC2.png (9486 bytes)

Amber Archive Jul 2018 by messages with attachments