[gmx-users] Bonds break while Minimising using distance restraints

Dear colleagues, I need to use simple distance restraints of 12.5 A between two CA atoms of two residues. I am using the following lines in the .itp file #ifdef DDISRES [distance_restraints] ;ai   aj type index type' low   up1  up2  fac 1703 1712 1    0 1    11.5  12.0 12.5 1.0 The first

Re: [gmx-users] Bonds break while Minimising using distance restraints

[EMAIL PROTECTED] wrote: Dear colleagues, I need to use simple distance restraints of 12.5 A between two CA atoms of two residues. I am using the following lines in the .itp file #ifdef DDISRES [distance_restraints] ;ai aj type index type' low up1 up2 fac 1703 1712 10 1