RE: [gmx-users] restraints or constraints over two molecules

2008-04-04 Thread Eric Jakobsson
happy with an harmonic restraint, you can use the pull code. Berk. -- Date: Wed, 2 Apr 2008 15:53:19 +0200 From: [EMAIL PROTECTED] To: gmx-users@gromacs.org Subject: [gmx-users] restraints or constraints over two molecules hi, i want to ask if there is a possibility to make

[gmx-users] restraints or constraints over two molecules

2008-04-02 Thread Thomas Schlesier
hi, i want to ask if there is a possibility to make distance restraints or contraints over two molecules? till now i have two .itp files (one for each molecule) and i include them with 'inculde ...itp . after that i have [ system ] and [ molecules ] (with my two molecules) and then [

RE: [gmx-users] restraints or constraints over two molecules

2008-04-02 Thread Berk Hess
-users@gromacs.org Subject: [gmx-users] restraints or constraints over two molecules hi, i want to ask if there is a possibility to make distance restraints or contraints over two molecules? till now i have two .itp files (one for each molecule) and i include them with 'inculde ...itp . after