Amber Archive Mar 2018 by messages with attachments

292 messages: Starting Wed Feb 28 2018 - 19:30:02 PST, Ending Sat Mar 31 2018 - 10:30:03 PDT
This period: Most recent messages
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[AMBER] Regarding PLP and Lys parameter Aashish Bhatt (Sat Mar 03 2018 - 03:35:05 PST)
1. lym_plp.prep (3696 bytes)
2. lym_prep.frcmod (11784 bytes)
[AMBER] Slab of water M Conte (Mon Mar 05 2018 - 15:28:18 PST)
1. image.png (343948 bytes)
Re: [AMBER] constant pH simulations pemed.cuda Jacopo Sgrignani (Thu Mar 08 2018 - 07:50:53 PST)
1. ph.cpin (22236 bytes)
[AMBER] FW: AMBER support and extra-point of charge (RESP) issue Jonathan David (Thu Mar 08 2018 - 23:33:53 PST)
1. winmail.dat (29756 bytes)
Re: [AMBER] QM/MM with Orca: selected input parameters not taken into account Ruth Helena Tichauer (Fri Mar 09 2018 - 00:44:28 PST)
1. orc_job.dat (44540 bytes)
Re: [AMBER] Problem with cphstat Tasneem Kausar (Mon Mar 12 2018 - 07:53:28 PDT)
1. equil.cpin (53870 bytes)
2. lig.equil.cpin (26751 bytes)
Re: [AMBER] FW: AMBER support and extra-point of charge (RESP) issue Jonathan David (Sun Mar 18 2018 - 23:21:37 PDT)
1. winmail.dat (18253 bytes)
[AMBER] PMEMD error: "Increase lin__limit in nb_pairlist.F90!!!" Colin Brown (Wed Mar 21 2018 - 07:42:01 PDT)
1. 10nsProd_MM-PBSA.out (9596 bytes)
[AMBER] ERROR TUTORIAL AMBER - creating PDB files from the AMBER coordinate files Edjan Silva (Fri Mar 23 2018 - 10:16:30 PDT)
1. polyAT_vac.prmtop (279393 bytes)
2. polyAT_vac_md1_12Acut.rst (31208 bytes)
3. 03-23_13:46:41.png (261117 bytes)
Re: [AMBER] MCPB.py Thakur, Abhishek (Mon Mar 26 2018 - 09:39:25 PDT)
1. NEP_RP.in (190 bytes)
2. ZN.mol2 (281 bytes)
3. MOL.mol2 (3718 bytes)
4. NEP_RP_H_fixed_nonprot.pdb (2997 bytes)
5. HOH.frcmod (62 bytes)
6. HOH.mol2 (451 bytes)
7. MOL.frcmod (294 bytes)
[AMBER] Random seed reproducibility Sergey Samsonov (Thu Mar 29 2018 - 01:32:04 PDT)
1. original.out (78396 bytes)
2. repeated.out (656105 bytes)