[gmx-users] edr file
Andrew Bostick
andrew.bostick1 at gmail.com
Fri May 29 19:27:41 CEST 2015
Dear gromacs users
After energy minimization, I used g_energy to obtain potential energy vs em
steps.
g_energy -f em.edr -o potential.xvg.
In potential.xvg, some lines are not seen:
0.000000 -61742.609375
1.000000 -65717.562500
2.000000 -75257.804688
3.000000 -83263.312500
4.000000 -85080.367188
5.000000 -86983.921875
6.000000 -88253.085938
7.000000 -89333.312500
8.000000 -90255.179688
9.000000 -90895.109375
10.000000 -91411.742188
11.000000 -91587.226562
13.000000 -93838.976562
14.000000 -94353.859375
15.000000 -97071.710938
17.000000 -97458.343750
18.000000 -97504.671875
19.000000 -97750.882812
21.000000 -99023.460938
23.000000 -99470.914062
24.000000 -99934.640625
25.000000 -99989.398438
26.000000 -100482.226562
28.000000 -100993.773438
29.000000 -101070.218750
30.000000 -101709.257812
32.000000 -102031.210938
33.000000 -102141.601562
34.000000 -102479.851562
36.000000 -102866.414062
37.000000 -103024.312500
38.000000 -103505.335938
40.000000 -103751.210938
41.000000 -103878.859375
42.000000 -104155.601562
44.000000 -104427.421875
45.000000 -104673.078125
46.000000 -104967.929688
47.000000 -105001.984375
48.000000 -105314.343750
50.000000 -105579.640625
51.000000 -105692.773438
52.000000 -106005.375000
54.000000 -106185.117188
55.000000 -106319.828125
56.000000 -106503.500000
57.000000 -106558.507812
58.000000 -106729.734375
60.000000 -107011.078125
61.000000 -107177.484375
62.000000 -107525.437500
64.000000 -107655.351562
65.000000 -107768.968750
66.000000 -107878.164062
67.000000 -107959.023438
68.000000 -108025.835938
69.000000 -108050.921875
71.000000 -108464.546875
72.000000 -108731.140625
73.000000 -109223.937500
75.000000 -109300.906250
76.000000 -109396.781250
77.000000 -109432.421875
78.000000 -109495.757812
80.000000 -109780.203125
81.000000 -109911.140625
82.000000 -110282.281250
84.000000 -110353.117188
85.000000 -110440.046875
86.000000 -110473.476562
87.000000 -110543.718750
89.000000 -110757.671875
90.000000 -110862.234375
91.000000 -111132.226562
93.000000 -111204.718750
94.000000 -111269.375000
95.000000 -111324.507812
96.000000 -111362.320312
97.000000 -111384.828125
99.000000 -111633.257812
100.000000 -111779.343750
101.000000 -112095.304688
103.000000 -112144.937500
104.000000 -112210.242188
105.000000 -112230.265625
106.000000 -112277.148438
108.000000 -112463.078125
109.000000 -112530.968750
110.000000 -112775.921875
112.000000 -112826.421875
113.000000 -112881.718750
114.000000 -112910.273438
115.000000 -112950.132812
117.000000 -113104.429688
118.000000 -113207.039062
119.000000 -113405.992188
121.000000 -113454.195312
122.000000 -113504.445312
123.000000 -113536.109375
124.000000 -113572.375000
125.000000 -113575.031250
126.000000 -113580.210938
128.000000 -113816.617188
130.000000 -113902.539062
131.000000 -113989.375000
132.000000 -113993.062500
133.000000 -114097.429688
135.000000 -114165.523438
136.000000 -114189.398438
137.000000 -114267.281250
139.000000 -114331.078125
140.000000 -114371.242188
141.000000 -114446.593750
143.000000 -114498.906250
144.000000 -114543.867188
145.000000 -114602.289062
146.000000 -114617.218750
147.000000 -114679.132812
149.000000 -114754.617188
150.000000 -114791.828125
151.000000 -114885.843750
153.000000 -114932.015625
154.000000 -114966.289062
155.000000 -115013.015625
156.000000 -115027.187500
157.000000 -115069.609375
159.000000 -115161.523438
160.000000 -115205.335938
161.000000 -115323.750000
163.000000 -115362.343750
164.000000 -115394.742188
165.000000 -115427.054688
166.000000 -115446.328125
167.000000 -115465.031250
169.000000 -115578.031250
170.000000 -115656.367188
171.000000 -115804.539062
173.000000 -115833.648438
174.000000 -115869.523438
175.000000 -115884.281250
176.000000 -115912.750000
178.000000 -116000.804688
179.000000 -116052.382812
180.000000 -116167.679688
182.000000 -116198.234375
183.000000 -116228.835938
184.000000 -116250.265625
185.000000 -116272.765625
186.000000 -116277.179688
187.000000 -116281.867188
189.000000 -116421.820312
190.000000 -116423.523438
191.000000 -116608.437500
193.000000 -116625.882812
194.000000 -116655.570312
196.000000 -116715.117188
197.000000 -116770.765625
198.000000 -116848.007812
200.000000 -116877.164062
201.000000 -116904.523438
202.000000 -116928.492188
203.000000 -116949.664062
204.000000 -116963.585938
205.000000 -116972.218750
207.000000 -117068.375000
208.000000 -117126.140625
209.000000 -117252.125000
211.000000 -117271.906250
212.000000 -117299.578125
213.000000 -117306.953125
214.000000 -117328.593750
216.000000 -117401.351562
217.000000 -117427.265625
218.000000 -117523.335938
220.000000 -117545.882812
221.000000 -117568.484375
222.000000 -117583.343750
223.000000 -117599.054688
224.000000 -117599.398438
225.000000 -117600.062500
227.000000 -117718.468750
229.000000 -117758.601562
230.000000 -117801.531250
231.000000 -117801.968750
232.000000 -117853.164062
234.000000 -117887.453125
235.000000 -117898.250000
236.000000 -117938.406250
238.000000 -117969.632812
239.000000 -117988.546875
240.000000 -118024.898438
242.000000 -118051.781250
243.000000 -118075.210938
244.000000 -118106.210938
245.000000 -118112.515625
246.000000 -118146.890625
248.000000 -118183.554688
249.000000 -118200.015625
250.000000 -118244.828125
252.000000 -118269.593750
253.000000 -118287.210938
254.000000 -118313.914062
255.000000 -118318.890625
256.000000 -118345.671875
258.000000 -118389.890625
259.000000 -118405.898438
260.000000 -118461.867188
262.000000 -118483.828125
263.000000 -118499.531250
264.000000 -118520.640625
265.000000 -118526.906250
266.000000 -118544.140625
268.000000 -118598.179688
269.000000 -118619.203125
270.000000 -118689.132812
272.000000 -118707.437500
273.000000 -118723.945312
274.000000 -118737.898438
275.000000 -118747.695312
276.000000 -118753.000000
278.000000 -118819.242188
279.000000 -118861.054688
280.000000 -118947.718750
282.000000 -118961.453125
283.000000 -118980.648438
284.000000 -118985.914062
285.000000 -119000.929688
287.000000 -119051.132812
288.000000 -119070.390625
289.000000 -119136.914062
291.000000 -119152.718750
292.000000 -119168.820312
293.000000 -119179.304688
294.000000 -119190.859375
295.000000 -119191.234375
296.000000 -119192.742188
298.000000 -119274.101562
300.000000 -119302.562500
301.000000 -119332.312500
302.000000 -119333.710938
303.000000 -119369.148438
305.000000 -119393.390625
306.000000 -119401.976562
307.000000 -119430.453125
309.000000 -119452.375000
310.000000 -119466.625000
311.000000 -119492.070312
313.000000 -119511.296875
314.000000 -119529.000000
315.000000 -119551.195312
316.000000 -119556.718750
317.000000 -119581.437500
319.000000 -119607.117188
320.000000 -119620.320312
321.000000 -119651.601562
323.000000 -119669.554688
324.000000 -119683.070312
325.000000 -119702.531250
326.000000 -119707.171875
327.000000 -119726.875000
329.000000 -119757.804688
330.000000 -119771.640625
331.000000 -119810.734375
333.000000 -119826.968750
334.000000 -119839.132812
335.000000 -119854.953125
336.000000 -119860.523438
337.000000 -119873.804688
339.000000 -119911.585938
340.000000 -119930.562500
341.000000 -119979.437500
343.000000 -119993.476562
344.000000 -120006.203125
345.000000 -120017.304688
346.000000 -120025.429688
347.000000 -120030.601562
349.000000 -120076.960938
What is reason of this state?
Thanks alot
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