From chemistry-request@ccl.net Tue Jun 18 00:36:39 1991 From: Ralph Merkle To: chemistry@ccl.net Subject: MM2 size limits, request for information Date: Mon, 17 Jun 1991 19:47:06 PDT Status: R I've recently examined the Fortran source code for QCPE's MM2. The version I've examined can only handle 500 atoms. The constant 500 (and various other integer constants of mysterious purpose) are scattered throughout the code in array declarations, DO loop limits, statement labels, substrings of floating point numbers, and the like. Has anyone modified the QCPE code to parameterize the number of atoms it can handle? We're not sure how large a structure we'll want to handle, but more than 500 atoms is certain. Send any replys or information to: merkle@xerox.com