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Hello Jakob-- > > I am getting an error while using MARVIN/PASD in conjunction with the > HDBD term. > ca. 1/50 of the structure calculations crashes with the message: > "%READHBDB-ERR: maximum allocation size for free HB entries exceeded" > this is due to programming error. Here h-bonds are determined on the fly, and the number of these is exceeding the maximum allowed by the program. I will fix the code to remove this limit shortly. Please let me know which platform you are running on, and I'll send you a test binary shortly. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFHTEN2PK2zrJwS/lYRAurDAJsG6RBU3p/lDltDyzai3DhoVa6ZsACeKkS2 s+zG17yrTyGQiVaijZmq/wg= =PRes -----END PGP SIGNATURE-----
