Re: [gmx-users] Re: Problems with g_membed tools

2011-11-10 Thread LindaSong
Thank you very much for your reply, Mark It is the topology problem. It seems I did it in a wrong way. Now the topology goes like this: [ molecules ] ; Compound#mols Protein_chain_A 1 Protein_chain_A21 POPC 256 This problem s

[gmx-users] Re: Problems with g_membed tools

2011-11-10 Thread LindaSong
Thank you for reply. I am sorry I didn't apply more information There are only protein and lipids in my system now. I used the CHARMM ff. The topology is like this: [ molecules ] ; Compound#mols Protein_chain_A 1 Protein_chain_A21 POPC1 In the grompp step, I u

[gmx-users] Problems with g_membed tools

2011-11-10 Thread LindaSong
Hello all, I want to use g_membed to insert a protein in POPC. I followed the manual steps. I used the grompp to generate the tpr file. It works well. But when I handed this tpr file to g_membed, it returned this: --- Program g_membed, VERSION