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

[Vitaly V. Chaban]

>> 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
http://chaban.at.ua