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have user defined istart
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  • package/MDAnalysis/coordinates

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package/MDAnalysis/coordinates/DCD.py

Lines changed: 4 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -358,6 +358,7 @@ def __init__(self,
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dt=1,
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remarks='',
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nsavc=1,
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istart=1,
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**kwargs):
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"""Parameters
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----------
@@ -380,6 +381,8 @@ def __init__(self,
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how many MD steps is a frame saved to the DCD). By default, this
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number is just set to one and this should be sufficient for almost
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all cases but if required, nsavc can be changed.
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istart : int (optional)
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starting frame number. CHARMM defaults to 1.
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**kwargs : dict
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General writer arguments
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@@ -400,7 +403,7 @@ def __init__(self,
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nsavc=nsavc,
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delta=delta,
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is_periodic=1,
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istart=0)
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istart=istart)
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def write_next_timestep(self, ts):
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"""Write timestep object into trajectory.

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