[gmx-users] Re: How to merge 2 simulation boxes?

Vitaly V. Chaban vvchaban at gmail.com
Fri Mar 26 07:40:04 CET 2010

>> Hi, everyone
>> I have two simulations which could run well separately. Now I want to place
>> the box of simulation A onto the box of simulation B. What should I do to
>> realise that?
>> I've tried to copy and paste the .gro and .top file together, but there are
>> several mistakes in grompp. I wonder if there are some better method to
>> merge 2 simulation boxes.

You probably have duplicate entries in the topollogy file. Remove the
unnecessary ones...

Dr. Vitaly Chaban

More information about the gromacs.org_gmx-users mailing list