X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fenergy_split-sep.F;h=f40b7af001c26177eb2e61591373288d5f854983;hb=6fbdc50f5dac8c3fdb6396ebc32b08452de29a6f;hp=97442a3f630f68c999566a098d15b8b77ff0a976;hpb=b847bacd7f528a68d640b3d58d4f5b9ce3c6ede2;p=unres.git diff --git a/source/unres/src_MD/energy_split-sep.F b/source/unres/src_MD/energy_split-sep.F index 97442a3..f40b7af 100644 --- a/source/unres/src_MD/energy_split-sep.F +++ b/source/unres/src_MD/energy_split-sep.F @@ -398,13 +398,29 @@ C 107 continue C BARTEK for dfa test! - if (wdfa_dist.gt.0) call edfad(edfadis) + if (wdfa_dist.gt.0) then + call edfad(edfadis) + else + edfadis=0.0 + endif c print*, 'edfad is finished!', edfadis - if (wdfa_tor.gt.0) call edfat(edfator) + if (wdfa_tor.gt.0) then + call edfat(edfator) + else + edfator=0.0 + endif c print*, 'edfat is finished!', edfator - if (wdfa_nei.gt.0) call edfan(edfanei) + if (wdfa_nei.gt.0) then + call edfan(edfanei) + else + edfanei=0.0 + endif c print*, 'edfan is finished!', edfanei - if (wdfa_beta.gt.0) call edfab(edfabet) + if (wdfa_beta.gt.0) then + call edfab(edfabet) + else + edfabet=0.0 + endif c print*, 'edfab is finished!', edfabet c c Calculate the short-range part of Evdwpp