Amber Archive Mar 2018 by messages with attachments
292 messages
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Starting
Wed Feb 28 2018 - 19:30:02 PST,
Ending
Sat Mar 31 2018 - 10:30:03 PDT
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[AMBER] Regarding PLP and Lys parameter
Aashish Bhatt
(Sat Mar 03 2018 - 03:35:05 PST)
lym_plp.prep
(3696 bytes)
lym_prep.frcmod
(11784 bytes)
[AMBER] Slab of water
M Conte
(Mon Mar 05 2018 - 15:28:18 PST)
image.png
(343948 bytes)
Re: [AMBER] constant pH simulations pemed.cuda
Jacopo Sgrignani
(Thu Mar 08 2018 - 07:50:53 PST)
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)
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)
orc_job.dat
(44540 bytes)
Re: [AMBER] Problem with cphstat
Tasneem Kausar
(Mon Mar 12 2018 - 07:53:28 PDT)
equil.cpin
(53870 bytes)
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)
winmail.dat
(18253 bytes)
[AMBER] PMEMD error: "Increase lin__limit in nb_pairlist.F90!!!"
Colin Brown
(Wed Mar 21 2018 - 07:42:01 PDT)
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)
polyAT_vac.prmtop
(279393 bytes)
polyAT_vac_md1_12Acut.rst
(31208 bytes)
03-23_13:46:41.png
(261117 bytes)
Re: [AMBER] MCPB.py
Thakur, Abhishek
(Mon Mar 26 2018 - 09:39:25 PDT)
NEP_RP.in
(190 bytes)
ZN.mol2
(281 bytes)
MOL.mol2
(3718 bytes)
NEP_RP_H_fixed_nonprot.pdb
(2997 bytes)
HOH.frcmod
(62 bytes)
HOH.mol2
(451 bytes)
MOL.frcmod
(294 bytes)
[AMBER] Random seed reproducibility
Sergey Samsonov
(Thu Mar 29 2018 - 01:32:04 PDT)
original.out
(78396 bytes)
repeated.out
(656105 bytes)
Last message date
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Sat Mar 31 2018 - 10:30:03 PDT
Archived on
: Mon Dec 09 2024 - 05:55:35 PST
292 messages
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