From b67411e64a7022e6748ac9b0b9b259183a16a041 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Thu, 19 May 2016 10:12:36 +0200 Subject: [PATCH] start_from_models working with multichain --- source/unres/src_MD-M/MD_A-MTS.F | 2 +- source/unres/src_MD-M/readpdb.F | 7 ++++++- 2 files changed, 7 insertions(+), 2 deletions(-) diff --git a/source/unres/src_MD-M/MD_A-MTS.F b/source/unres/src_MD-M/MD_A-MTS.F index deef97c..aa1a6d3 100644 --- a/source/unres/src_MD-M/MD_A-MTS.F +++ b/source/unres/src_MD-M/MD_A-MTS.F @@ -1633,7 +1633,7 @@ c Removing the velocity of the center of mass enddo enddo endif - call chainbuild +c call chainbuild_cart write (iout,*) "PREMINIM ",preminim if(iranconf.ne.0 .or. preminim) then if (overlapsc) then diff --git a/source/unres/src_MD-M/readpdb.F b/source/unres/src_MD-M/readpdb.F index de172bd..9a5f88e 100644 --- a/source/unres/src_MD-M/readpdb.F +++ b/source/unres/src_MD-M/readpdb.F @@ -1006,7 +1006,6 @@ c write (iout,*) "spraw lancuchy",(c(j,i),j=1,3) endif endif do j=1,3 - chomo(j,i,k)=c(j,i) cref(j,i,cou)=c(j,i) cref(j,i+nres,cou)=c(j,i+nres) if (i.le.nres) then @@ -1015,6 +1014,12 @@ c write (iout,*) "spraw lancuchy",(c(j,i),j=1,3) endif enddo enddo + do i=1,2*nres + do j=1,3 + chomo(j,i,k)=c(j,i) + enddo + enddo + write (iout,*) chain_length if (chain_length.eq.0) chain_length=nres do j=1,3 -- 1.7.9.5