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Bug #70

g_energy does not accept user-input

Added by Christian Seifert over 13 years ago. Updated over 13 years ago.

Status:
Closed
Priority:
High
Assignee:
Erik Lindahl
Category:
analysis tools
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

Command:
g_energy -f ener.edr -o pot-energy.xvg

shows:
[...]

Opened ener.edr as single precision energy file

Select the terms you want from the following list
-----------------------------------------------------
G96Bond G96Angle Proper-Dih. Improper-Dih. LJ-14
Coulomb-14 LJ-(SR) Coulomb-(SR) Coul.-recip. Potential
Kinetic-En. Total-Energy Temperature Pressure-(bar) Vir-XX
Vir-XY Vir-XZ Vir-YX Vir-YY Vir-YZ
Vir-ZX Vir-ZY Vir-ZZ Pres-XX-(bar) Pres-XY-(bar)
Pres-XZ-(bar) Pres-YX-(bar) Pres-YY-(bar) Pres-YZ-(bar) Pres-ZX-(bar)
Pres-ZY-(bar) Pres-ZZ-(bar) #Surf*SurfTen Mu-X Mu-Y
Mu-Z T-rest

- I miss the Numbers in front of the arguments.
- Typing: 10 [ENTER] 0 [ENTER]
is not accepted. The programm does not quit. Quitting is only possible with
[Ctrl]+c. Of cause there is no output.
- Using g_energy-3.3 with the same ener.edr works without problems.

ener.edr (1.78 MB) ener.edr The ener.edr Christian Seifert, 04/13/2006 11:34 AM

History

#1 Updated by Christian Seifert over 13 years ago

Created an attachment (id=35)
The ener.edr

#2 Updated by David van der Spoel over 13 years ago

As of this version you have to type the name of the energy term instead of the
number. This is a new feature.

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