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I noticed that the RESIDUES=all keyword used in ALPHARMSD and other secondary structure CVs is case-sensitive.
RESIDUES=all
ALPHARMSD
Thus, using RESIDUES=ALL will lead to the error message:
RESIDUES=ALL
+++ PLUMED error +++ at ./core/../../core/tools/../../tools/Tools.h:129, function static void PLM D::Tools::convert(const T &, U &) [T = std::string, U = int] +++ assertion failed: convertNoexcept(t,u) +++ message follows +++ Error converting ALL
This can for example be seen by changing one of the keywords in regtest/secondarystructure/rt33
regtest/secondarystructure/rt33
It might be good to change this and make the usage of the keyword all case-insensitive.
all
Omar
The text was updated successfully, but these errors were encountered:
10e2afc
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I noticed that the
RESIDUES=all
keyword used inALPHARMSD
and other secondary structure CVs is case-sensitive.Thus, using
RESIDUES=ALL
will lead to the error message:This can for example be seen by changing one of the keywords in
regtest/secondarystructure/rt33
It might be good to change this and make the usage of the keyword
all
case-insensitive.Omar
The text was updated successfully, but these errors were encountered: