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bar.sh doesn't output histograms

Status: Open.

#7 In Nevensky/Free-Energy-Scripts;

· Nevensky opened on Apr 8, 2017

gmx grompp inconsistent output files in NPT equilibration (BAR)

bug

Status: Open.

#6 In Nevensky/Free-Energy-Scripts;

· Nevensky opened on Apr 4, 2017

gen_jobs creates grompp's without an index file

bug

Status: Open.

#5 In Nevensky/Free-Energy-Scripts;

· Nevensky opened on Mar 25, 2017

the coupled lambda vector contains an extra lambda which should not be present

Status: Open.

#4 In Nevensky/Free-Energy-Scripts;

· Nevensky opened on Mar 25, 2017

em_steep mdps not created

bug

Status: Open.

#3 In Nevensky/Free-Energy-Scripts;

· Nevensky opened on Mar 25, 2017

Created jobs and shell scripts not executable upon creation

bug

Status: Open.

#2 In Nevensky/Free-Energy-Scripts;

· Nevensky opened on Mar 25, 2017

bar_main and dependencies badly adapted for different intervals

bug

Status: Open.

#1 In Nevensky/Free-Energy-Scripts;

· Nevensky opened on Jan 29, 2017