X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FMD_A-MTS.F;h=95f174d8d86af074fe10642386178d3ab8adaf23;hb=05c18ccfcefc037cb8394bd779a4e51b7cbea6ec;hp=30d72a7dd64d8c7039ea7b064648af280b5d78ee;hpb=746b71e825ca1fada9877a347562459b8390629d;p=unres.git diff --git a/source/unres/src_MD/MD_A-MTS.F b/source/unres/src_MD/MD_A-MTS.F index 30d72a7..95f174d 100644 --- a/source/unres/src_MD/MD_A-MTS.F +++ b/source/unres/src_MD/MD_A-MTS.F @@ -1096,7 +1096,7 @@ c Backup the coordinates, velocities, and accelerations if(tnp .or. tnp1) then #ifndef G77 - write (iout,'(a3,7f)') "TTT",EK,s_np,potE,pi_np,Csplit, + write (iout,'(a3,7f20.10)') "TTT",EK,s_np,potE,pi_np,Csplit, & E_long,energia_short(0) #else write (iout,'(a3,7f20.10)') "TTT",EK,s_np,potE,pi_np,Csplit, @@ -1681,8 +1681,7 @@ c if the friction coefficients do not depend on surface area stdforcp(i)=stdfp*dsqrt(gamp) enddo do i=nnt,nct - stdforcsc(i)=stdfsc(iabs(itype(i))) - & *dsqrt(gamsc(iabs(itype(i)))) + stdforcsc(i)=stdfsc(itype(i))*dsqrt(gamsc(itype(i))) enddo endif c Open the pdb file for snapshotshots @@ -1858,7 +1857,7 @@ c Removing the velocity of the center of mass call chainbuild_cart call kinetic(EK) if (tbf) then - call verlet_bath(EK) + call verlet_bath endif kinetic_T=2.0d0/(dimen3*Rb)*EK if(me.eq.king.or..not.out1file)then