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Releases: fhh2626/BFEE2

BFEE 2.1.11

11 Jun 01:50
@fhh2626 fhh2626
2.1.11
9a3391b
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BFEE 2.1.11

Bug fixes and UI improvement

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BFEE 2.1.10-2

04 Jun 08:15
@fhh2626 fhh2626
2.1.10-2
bb81a18
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BFEE 2.1.10-2

version.py was not updated in the last release. Do not know why.

Implemented new CVs for Euler and spherical angles.
Fixed a bug about the beta values in fep_ligandonly.pdb
Made restarting simulations easier.

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BFEE 2.1.10

04 Jun 08:08
@fhh2626 fhh2626
2.1.10
70e4d07
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BFEE 2.1.10

Implemented new CVs for Euler and spherical angles.
Fixed a bug about the beta values in fep_ligandonly.pdb
Made restarting simulations easier.

Assets 2
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BFEE 2.1.9

27 May 02:11
@fhh2626 fhh2626
2.1.9
b86a832
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BFEE 2.1.9

Fix calculation of polar angles of GMX calculations

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BFEE 2.1.8-2

27 Apr 14:49
@fhh2626 fhh2626
2.1.8-2
5b6bb09
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BFEE 2.1.8-2

The same as BFEE 2.1.8. Only added auto-generation of docs, which should not affect the end-user.

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BFEE 2.1.8

26 Apr 14:13
@fhh2626 fhh2626
2.1.8
c38f8ca
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BFEE 2.1.8

Minor update, mainly on auto-neutralization.

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BFEE 2.1.7

23 Apr 07:20
@fhh2626 fhh2626
2.1.7
0f8623a
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BFEE 2.1.7

Minor bug fixes, especially for large systems and non-standard pulling direction.

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BFEE 2.1.6

09 Apr 09:50
@fhh2626 fhh2626
2.1.6
bee457a
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BFEE 2.1.6

Fixed some cross-platform issues

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BFEE 2.1.3

05 Apr 11:57
@fhh2626 fhh2626
2.1.3
67880d1
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BFEE 2.1.3

New option to not pin down the protein;
accepting .coor file as the structural file;
other minor improvement and bug fixes.

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BFEE 2.1.2

05 Mar 16:26
@fhh2626 fhh2626
2.1.2
e6c93f6
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BFEE 2.1.2

The first stable and well-tested version.

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