X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Finitialize_p.F;h=f975efbb126e9fa420c58005eba9f64361de3bce;hb=573519d92765e09af5d748a8ac827a9aa2ef0a57;hp=b27cd2d8bd83ef1a98fddea0f58cfe1d3102c404;hpb=c2c3859061ca4428ee9a1bab059c2943d9a898bc;p=unres.git diff --git a/source/wham/src/initialize_p.F b/source/wham/src/initialize_p.F index b27cd2d..f975efb 100644 --- a/source/wham/src/initialize_p.F +++ b/source/wham/src/initialize_p.F @@ -42,7 +42,9 @@ C igeom= 8 intin= 9 ithep= 11 + ithep_pdb=51 irotam=12 + irotam_pdb=52 itorp= 13 itordp= 23 ielep= 14