AMBER Archive (2003)Subject: delphi with amber 7
From: Noriaki Okimoto (okimoto_at_atlas.riken.go.jp)
Date: Fri Jul 11 2003 - 13:34:34 CDT
Dear all,
I would like to do an MM-PBSA calculation with Delphi and amber 7.
My protein has some new atom types. So, I modified my_amber94_delphi.crg
and my_parse_delphi.siz, but faced the following error;
//////////////////////////////////////////
=>> Calculating energy / entropy contributions
Calc contrib for ./test_com.crd.1
Calc MM/GB/SAS
Generate PDB
Calc PB
Run 0
Generate PQR
No radius found for 2681 XX XX
Died at ./mm_pbsa.pl line 1340, <PDB> line 2683.
//////////////////////////////////////////
Anyone are so kind to help me?
Thanks in advance.
Nori
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