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AMBER Archive (2006)Subject: AMBER: Question about .off file
From: Sergey Krishtal (skrishtal_at_mail.ru)
Dear Amber users,
I've created the .off file for ethanol box with LeAP. The box contains 256 ethanol molecules (2304 atoms in total).
I'm interested in the meaning of the following entries:
!entry.ETOHBOX.unit.chilsequence single int
!entry.ETOHBOX.unit.connect array int
I'm asking because, for example, in the corresponding file for methanol box (125 molecules or 750 atoms), which is a part of AMBER distribution, those values are as follows:
!entry.ETOHBOX.unit.chilsequence single int
!entry.ETOHBOX.unit.connect array int
and for SPC water:
entry.ETOHBOX.unit.chilsequence single int
!entry.ETOHBOX.unit.connect array int
Thanks in advance.
Best regards,
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