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IN:02584130
http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=VMD
http://www.ks.uiuc.edu/Research/vmd/current/docs.html
http://www.ks.uiuc.edu/Research/vmd/doxygen/compiling.ht…
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Hi guys,
I was wondering if there is a way in HTMD to include additional restraints to the simulation. Specifically I was looking for some implementation such as
Extra bond, angle, and dihedral …
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Using Python 2.7.13 64bit on Windows 7
installed PyMuPDF with pip
```
import fitz
doc = fitz.open("test.pdf")
```
returns AttributeError
```
AttributeErrorTraceback (most recent call las…
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Hi,
I was wondering if TAMKIN can process NAMD files. I am interested to use TAMKIN for Normal Mode Analysis.
I will appreciate your response.
Mamta
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BAC2.0 is in a shape now where we can run some kind of calculation (TIES, ESMACS or something else) on a supercomputer (e.g. Grace).
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There is no longer a segfaults, but running the examples/USER/colvars/in.peptide-colvars example now aborts prematurely when restarting with:
```
colvars: -------------------------------------------…
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Here is a stack trace running the `examples/USER/colvars/in.colvars-peptide` input.
```
(gdb) where
#0 colvardeps::decr_ref_count (this=0x134cf80, feature_id=feature_id@entry=20996752) at colvarde…
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Amount is twice that of the reference output.
No errors in equivalent NAMD regtests... is the VMD reference output wrong?
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Happens every time in my tests. Looking into it. Have not seen it in NAMD, but the underlying memory issue might exist there too - or not.
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Dear colvars developers,
I have encountered a problem with colvars in recent nightly versions of NAMD (10th of July 17 and 7th of September 17).
I am using the Tcl scripting interface of colvar…